3-[[(5S)-8-[1,3-benzoxazol-2-yl(hydroxy)methyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-N-(3,4-difluorophenyl)benzamide;4-chloro-3-[[(5S)-8-[2-(5-cyclopropyl-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4-difluorophenyl)benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(4-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(5-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[2-(5-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(4-pyridin-3-yl-1,3-oxazol-2-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide

C210H192Cl7F15N20O42S7 — CID 159354246

IUPAC3-[[(5S)-8-[1,3-benzoxazol-2-yl(hydroxy)methyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-N-(3,4-difluorophenyl)benzamide;4-chloro-3-[[(5S)-8-[2-(5-cyclopropyl-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4-difluorophenyl)benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(4-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(5-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[2-(5-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(4-pyridin-3-yl-1,3-oxazol-2-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)C(O)c2cc(-n3cccn3)ccn2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)C(O)c2ccc(-n3cccn3)cn2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)C(O)c2ccc(C3CC3)cn2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)C(O)c2ccc(F)cn2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)c2cc(-c3cccnc3)on2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)c2nc(-c3cccnc3)co2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)c2nc3ccccc3o2)c1
InChIInChI=1S/2C31H29ClF2N4O6S.C31H31ClF2N2O6S.2C30H26ClF2N3O6S.C29H25ClF2N2O6S.C28H26ClF3N2O6S/c32-23-7-2-17(30(41)37-20-5-8-24(33)25(34)15-20)12-27(23)45(43,44)22-13-18-3-4-19(14-22)31(18,42)29(40)28(39)26-9-6-21(16-35-26)38-11-1-10-36-38;32-23-6-2-17(30(41)37-20-5-7-24(33)25(34)15-20)12-27(23)45(43,44)22-13-18-3-4-19(14-22)31(18,42)29(40)28(39)26-16-21(8-10-35-26)38-11-1-9-36-38;32-23-8-3-17(30(39)36-21-7-9-24(33)25(34)14-21)11-27(23)43(41,42)22-12-19-5-6-20(13-22)31(19,40)29(38)28(37)26-10-4-18(15-35-26)16-1-2-16;31-22-7-3-16(29(38)35-20-6-8-23(32)24(33)13-20)10-27(22)43(40,41)21-11-18-4-5-19(12-21)30(18,39)28(37)25-14-26(42-36-25)17-2-1-9-34-15-17;31-22-7-3-16(28(38)35-20-6-8-23(32)24(33)13-20)10-26(22)43(40,41)21-11-18-4-5-19(12-21)30(18,39)27(37)29-36-25(15-42-29)17-2-1-9-34-14-17;30-20-9-5-15(27(36)33-18-8-10-21(31)22(32)14-18)11-25(20)41(38,39)19-12-16-6-7-17(13-19)29(16,37)26(35)28-34-23-3-1-2-4-24(23)40-28;29-20-6-1-14(27(37)34-18-5-7-21(31)22(32)12-18)9-24(20)41(39,40)19-10-15-2-3-16(11-19)28(15,38)26(36)25(35)23-8-4-17(30)13-33-23/h2*1-2,5-12,15-16,18-19,22,28-29,39-40,42H,3-4,13-14H2,(H,37,41);3-4,7-11,14-16,19-20,22,28-29,37-38,40H,1-2,5-6,12-13H2,(H,36,39);1-3,6-10,13-15,18-19,21,28,37,39H,4-5,11-12H2,(H,35,38);1-3,6-10,13-15,18-19,21,27,37,39H,4-5,11-12H2,(H,35,38);1-5,8-11,14,16-17,19,26,35,37H,6-7,12-13H2,(H,33,36);1,4-9,12-13,15-16,19,25-26,35-36,38H,2-3,10-11H2,(H,34,37)/t2*18-,19?,22?,28?,29?,31?;19-,20?,22?,28?,29?,31?;18-,19?,21?,28?,30?;18-,19?,21?,27?,30?;16-,17?,19?,26?,29?;15-,16?,19?,25?,26?,28?/m0000000/s1
InChIKeyLHSLGZYGKAHTGO-HMQUDXOHSA-N
MW4425.55 g/mol
LogP33.74
Rot. Bonds51

About 3-[[(5S)-8-[1,3-benzoxazol-2-yl(hydroxy)methyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-N-(3,4-difluorophenyl)benzamide;4-chloro-3-[[(5S)-8-[2-(5-cyclopropyl-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4-difluorophenyl)benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(4-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(5-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[2-(5-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(4-pyridin-3-yl-1,3-oxazol-2-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide

3-[[(5S)-8-[1,3-benzoxazol-2-yl(hydroxy)methyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-N-(3,4-difluorophenyl)benzamide;4-chloro-3-[[(5S)-8-[2-(5-cyclopropyl-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4-difluorophenyl)benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(4-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(5-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[2-(5-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(4-pyridin-3-yl-1,3-oxazol-2-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide (PubChem CID 159354246) has the molecular formula C210H192Cl7F15N20O42S7 and a molecular weight of 4425.55 g/mol. Its IUPAC name is 3-[[(5S)-8-[1,3-benzoxazol-2-yl(hydroxy)methyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-N-(3,4-difluorophenyl)benzamide;4-chloro-3-[[(5S)-8-[2-(5-cyclopropyl-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4-difluorophenyl)benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(4-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(5-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[2-(5-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(4-pyridin-3-yl-1,3-oxazol-2-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide.

Molecular Properties

Compound Name3-[[(5S)-8-[1,3-benzoxazol-2-yl(hydroxy)methyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-N-(3,4-difluorophenyl)benzamide;4-chloro-3-[[(5S)-8-[2-(5-cyclopropyl-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4-difluorophenyl)benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(4-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(5-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[2-(5-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(4-pyridin-3-yl-1,3-oxazol-2-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide
PubChem CID159354246
Molecular FormulaC210H192Cl7F15N20O42S7
Molecular Weight4425.55 g/mol
Exact Mass4418.91
IUPAC Name3-[[(5S)-8-[1,3-benzoxazol-2-yl(hydroxy)methyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-N-(3,4-difluorophenyl)benzamide;4-chloro-3-[[(5S)-8-[2-(5-cyclopropyl-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4-difluorophenyl)benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(4-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(5-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[2-(5-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(4-pyridin-3-yl-1,3-oxazol-2-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)C(O)c2cc(-n3cccn3)ccn2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)C(O)c2ccc(-n3cccn3)cn2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)C(O)c2ccc(C3CC3)cn2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)C(O)c2ccc(F)cn2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)c2cc(-c3cccnc3)on2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)c2nc(-c3cccnc3)co2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)c2nc3ccccc3o2)c1
InChIInChI=1S/2C31H29ClF2N4O6S.C31H31ClF2N2O6S.2C30H26ClF2N3O6S.C29H25ClF2N2O6S.C28H26ClF3N2O6S/c32-23-7-2-17(30(41)37-20-5-8-24(33)25(34)15-20)12-27(23)45(43,44)22-13-18-3-4-19(14-22)31(18,42)29(40)28(39)26-9-6-21(16-35-26)38-11-1-10-36-38;32-23-6-2-17(30(41)37-20-5-7-24(33)25(34)15-20)12-27(23)45(43,44)22-13-18-3-4-19(14-22)31(18,42)29(40)28(39)26-16-21(8-10-35-26)38-11-1-9-36-38;32-23-8-3-17(30(39)36-21-7-9-24(33)25(34)14-21)11-27(23)43(41,42)22-12-19-5-6-20(13-22)31(19,40)29(38)28(37)26-10-4-18(15-35-26)16-1-2-16;31-22-7-3-16(29(38)35-20-6-8-23(32)24(33)13-20)10-27(22)43(40,41)21-11-18-4-5-19(12-21)30(18,39)28(37)25-14-26(42-36-25)17-2-1-9-34-15-17;31-22-7-3-16(28(38)35-20-6-8-23(32)24(33)13-20)10-26(22)43(40,41)21-11-18-4-5-19(12-21)30(18,39)27(37)29-36-25(15-42-29)17-2-1-9-34-14-17;30-20-9-5-15(27(36)33-18-8-10-21(31)22(32)14-18)11-25(20)41(38,39)19-12-16-6-7-17(13-19)29(16,37)26(35)28-34-23-3-1-2-4-24(23)40-28;29-20-6-1-14(27(37)34-18-5-7-21(31)22(32)12-18)9-24(20)41(39,40)19-10-15-2-3-16(11-19)28(15,38)26(36)25(35)23-8-4-17(30)13-33-23/h2*1-2,5-12,15-16,18-19,22,28-29,39-40,42H,3-4,13-14H2,(H,37,41);3-4,7-11,14-16,19-20,22,28-29,37-38,40H,1-2,5-6,12-13H2,(H,36,39);1-3,6-10,13-15,18-19,21,28,37,39H,4-5,11-12H2,(H,35,38);1-3,6-10,13-15,18-19,21,27,37,39H,4-5,11-12H2,(H,35,38);1-5,8-11,14,16-17,19,26,35,37H,6-7,12-13H2,(H,33,36);1,4-9,12-13,15-16,19,25-26,35-36,38H,2-3,10-11H2,(H,34,37)/t2*18-,19?,22?,28?,29?,31?;19-,20?,22?,28?,29?,31?;18-,19?,21?,28?,30?;18-,19?,21?,27?,30?;16-,17?,19?,26?,29?;15-,16?,19?,25?,26?,28?/m0000000/s1
InChIKeyLHSLGZYGKAHTGO-HMQUDXOHSA-N
XLogP33.74
TPSA997.89 Ų
H-Bond Donors25
H-Bond Acceptors55
Rotatable Bonds51
Heavy Atoms301
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004425.55
LogP ≤ 533.74
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1055

Analyze 3-[[(5S)-8-[1,3-benzoxazol-2-yl(hydroxy)methyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-N-(3,4-difluorophenyl)benzamide;4-chloro-3-[[(5S)-8-[2-(5-cyclopropyl-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4-difluorophenyl)benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(4-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(5-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[2-(5-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(4-pyridin-3-yl-1,3-oxazol-2-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide with MolForge

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Related Compounds

4-chloro-N-(3,4-difluorophenyl)-3-[[8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide
CID 142538173
4-chloro-N-(3,4-difluorophenyl)-3-[[8-[(S)-(5-fluoro-2-pyridinyl)-hydroxymethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide
CID 163621604
4-chloro-N-(3,4-difluorophenyl)-3-[[8-[2-(3-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide
CID 142538145
4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-(1-pyridin-4-ylimidazol-2-yl)-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide
CID 130397636
4-chloro-N-(3,4-difluorophenyl)-3-[[(6S,8R)-8-hydroxy-8-[hydroxy-(4-methyl-2-pyridinyl)methyl]-6-methyl-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide
CID 166736091
4-chloro-N-(3,4-difluorophenyl)-3-[[(6S,8R)-8-hydroxy-8-[(S)-hydroxy-(6-methyl-2-pyridinyl)methyl]-6-methyl-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide
CID 166736217
4-chloro-3-[[(5S)-8-hydroxy-8-(pyrazol-1-ylmethyl)-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4,5-trifluorophenyl)benzamide
CID 130397448
4-chloro-3-[[8-[(1R,2R)-1,2-dihydroxypropyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4,5-trifluorophenyl)benzamide
CID 148909229
4-chloro-3-[[(1S,5R)-8-(1,2-dihydroxypropyl)-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4,5-trifluorophenyl)benzamide
CID 170079595
4-chloro-N-(3,4-difluorophenyl)-3-[[6-hydroxy-6-(hydroxymethyl)-3-bicyclo[3.1.1]heptanyl]sulfonyl]benzamide
CID 130425464
4-chloro-3-[[8-hydroxy-8-[(pyridin-3-ylsulfonylamino)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4,5-trifluorophenyl)benzamide
CID 130424962
4-chloro-3-[[8-hydroxy-8-(6-methyl-3-pyridinyl)-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4,5-trifluorophenyl)benzamide
CID 130402463

Frequently Asked Questions

What is the IUPAC name of 3-[[(5S)-8-[1,3-benzoxazol-2-yl(hydroxy)methyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-N-(3,4-difluorophenyl)benzamide;4-chloro-3-[[(5S)-8-[2-(5-cyclopropyl-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4-difluorophenyl)benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(4-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(5-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[2-(5-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(4-pyridin-3-yl-1,3-oxazol-2-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide?
The IUPAC name of 3-[[(5S)-8-[1,3-benzoxazol-2-yl(hydroxy)methyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-N-(3,4-difluorophenyl)benzamide;4-chloro-3-[[(5S)-8-[2-(5-cyclopropyl-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4-difluorophenyl)benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(4-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(5-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[2-(5-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(4-pyridin-3-yl-1,3-oxazol-2-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide (CID 159354246) is 3-[[(5S)-8-[1,3-benzoxazol-2-yl(hydroxy)methyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-N-(3,4-difluorophenyl)benzamide;4-chloro-3-[[(5S)-8-[2-(5-cyclopropyl-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4-difluorophenyl)benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(4-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(5-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[2-(5-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(4-pyridin-3-yl-1,3-oxazol-2-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide.
What is the SMILES notation for 3-[[(5S)-8-[1,3-benzoxazol-2-yl(hydroxy)methyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-N-(3,4-difluorophenyl)benzamide;4-chloro-3-[[(5S)-8-[2-(5-cyclopropyl-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4-difluorophenyl)benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(4-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(5-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[2-(5-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(4-pyridin-3-yl-1,3-oxazol-2-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide?
The canonical SMILES for 3-[[(5S)-8-[1,3-benzoxazol-2-yl(hydroxy)methyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-N-(3,4-difluorophenyl)benzamide;4-chloro-3-[[(5S)-8-[2-(5-cyclopropyl-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4-difluorophenyl)benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(4-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(5-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[2-(5-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(4-pyridin-3-yl-1,3-oxazol-2-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide is O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)C(O)c2cc(-n3cccn3)ccn2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)C(O)c2ccc(-n3cccn3)cn2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)C(O)c2ccc(C3CC3)cn2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)C(O)c2ccc(F)cn2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)c2cc(-c3cccnc3)on2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)c2nc(-c3cccnc3)co2)c1.O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)C2CC3CC[C@@H](C2)C3(O)C(O)c2nc3ccccc3o2)c1.
What is the InChIKey of 3-[[(5S)-8-[1,3-benzoxazol-2-yl(hydroxy)methyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-N-(3,4-difluorophenyl)benzamide;4-chloro-3-[[(5S)-8-[2-(5-cyclopropyl-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4-difluorophenyl)benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(4-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(5-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[2-(5-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(4-pyridin-3-yl-1,3-oxazol-2-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide?
The InChIKey is LHSLGZYGKAHTGO-HMQUDXOHSA-N. The full InChI is InChI=1S/2C31H29ClF2N4O6S.C31H31ClF2N2O6S.2C30H26ClF2N3O6S.C29H25ClF2N2O6S.C28H26ClF3N2O6S/c32-23-7-2-17(30(41)37-20-5-8-24(33)25(34)15-20)12-27(23)45(43,44)22-13-18-3-4-19(14-22)31(18,42)29(40)28(39)26-9-6-21(16-35-26)38-11-1-10-36-38;32-23-6-2-17(30(41)37-20-5-7-24(33)25(34)15-20)12-27(23)45(43,44)22-13-18-3-4-19(14-22)31(18,42)29(40)28(39)26-16-21(8-10-35-26)38-11-1-9-36-38;32-23-8-3-17(30(39)36-21-7-9-24(33)25(34)14-21)11-27(23)43(41,42)22-12-19-5-6-20(13-22)31(19,40)29(38)28(37)26-10-4-18(15-35-26)16-1-2-16;31-22-7-3-16(29(38)35-20-6-8-23(32)24(33)13-20)10-27(22)43(40,41)21-11-18-4-5-19(12-21)30(18,39)28(37)25-14-26(42-36-25)17-2-1-9-34-15-17;31-22-7-3-16(28(38)35-20-6-8-23(32)24(33)13-20)10-26(22)43(40,41)21-11-18-4-5-19(12-21)30(18,39)27(37)29-36-25(15-42-29)17-2-1-9-34-14-17;30-20-9-5-15(27(36)33-18-8-10-21(31)22(32)14-18)11-25(20)41(38,39)19-12-16-6-7-17(13-19)29(16,37)26(35)28-34-23-3-1-2-4-24(23)40-28;29-20-6-1-14(27(37)34-18-5-7-21(31)22(32)12-18)9-24(20)41(39,40)19-10-15-2-3-16(11-19)28(15,38)26(36)25(35)23-8-4-17(30)13-33-23/h2*1-2,5-12,15-16,18-19,22,28-29,39-40,42H,3-4,13-14H2,(H,37,41);3-4,7-11,14-16,19-20,22,28-29,37-38,40H,1-2,5-6,12-13H2,(H,36,39);1-3,6-10,13-15,18-19,21,28,37,39H,4-5,11-12H2,(H,35,38);1-3,6-10,13-15,18-19,21,27,37,39H,4-5,11-12H2,(H,35,38);1-5,8-11,14,16-17,19,26,35,37H,6-7,12-13H2,(H,33,36);1,4-9,12-13,15-16,19,25-26,35-36,38H,2-3,10-11H2,(H,34,37)/t2*18-,19?,22?,28?,29?,31?;19-,20?,22?,28?,29?,31?;18-,19?,21?,28?,30?;18-,19?,21?,27?,30?;16-,17?,19?,26?,29?;15-,16?,19?,25?,26?,28?/m0000000/s1.
What are the key properties of 3-[[(5S)-8-[1,3-benzoxazol-2-yl(hydroxy)methyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-N-(3,4-difluorophenyl)benzamide;4-chloro-3-[[(5S)-8-[2-(5-cyclopropyl-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4-difluorophenyl)benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(4-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(5-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[2-(5-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(4-pyridin-3-yl-1,3-oxazol-2-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide?
3-[[(5S)-8-[1,3-benzoxazol-2-yl(hydroxy)methyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-N-(3,4-difluorophenyl)benzamide;4-chloro-3-[[(5S)-8-[2-(5-cyclopropyl-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4-difluorophenyl)benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(4-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(5-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[2-(5-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(4-pyridin-3-yl-1,3-oxazol-2-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide has a molecular weight of 4425.55 g/mol, XLogP of 33.74, 51 rotatable bonds, 25 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5S)-8-[1,3-benzoxazol-2-yl(hydroxy)methyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-N-(3,4-difluorophenyl)benzamide;4-chloro-3-[[(5S)-8-[2-(5-cyclopropyl-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]-N-(3,4-difluorophenyl)benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(4-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[1,2-dihydroxy-2-(5-pyrazol-1-yl-2-pyridinyl)ethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-[2-(5-fluoro-2-pyridinyl)-1,2-dihydroxyethyl]-8-hydroxy-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(4-pyridin-3-yl-1,3-oxazol-2-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide;4-chloro-N-(3,4-difluorophenyl)-3-[[(5S)-8-hydroxy-8-[hydroxy-(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]-3-bicyclo[3.2.1]octanyl]sulfonyl]benzamide is sourced from PubChem (CID 159354246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).