1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide

C200H165F27N26O34S8 — CID 159024383

IUPAC1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1cc(-c2ccc(C(F)(F)F)nc2)ncn1.C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1.C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1ccnc(-c2ccc(C(F)(F)F)cc2O)c1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cc(-c2ncc(C(F)(F)F)cn2)ccn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cccc(-c2cnc(C(F)(F)F)cn2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1ccnc(-c2cnc(C(F)(F)F)nc2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/3C26H22F3N3O4S.C25H20F4N2O5S.2C25H21F3N4O4S.C24H19F4N3O5S.C23H18F4N4O4S/c27-26(28,29)24-16-30-20(15-31-24)18-7-3-5-17(13-18)10-11-22(33)21-8-4-12-32(21)37(34,35)25-14-19-6-1-2-9-23(19)36-25;2*27-26(28,29)19-7-9-21(31-16-19)17-11-12-30-20(14-17)8-10-23(33)22-5-3-13-32(22)37(34,35)25-15-18-4-1-2-6-24(18)36-25;1-14(31-37(34,35)24-12-16-11-18(26)4-7-23(16)36-24)21(32)6-2-15-8-9-30-20(10-15)19-5-3-17(13-22(19)33)25(27,28)29;26-25(27,28)24-30-14-18(15-31-24)19-12-16(9-10-29-19)7-8-21(33)20-5-3-11-32(20)37(34,35)23-13-17-4-1-2-6-22(17)36-23;26-25(27,28)18-14-30-24(31-15-18)17-9-10-29-19(12-17)7-8-21(33)20-5-3-11-32(20)37(34,35)23-13-16-4-1-2-6-22(16)36-23;1-14(31-37(33,34)23-11-16-10-17(25)4-9-22(16)35-23)21(32)8-5-18-12-20(30-13-29-18)15-2-6-19(7-3-15)36-24(26,27)28;1-13(31-36(33,34)22-9-15-8-16(24)3-6-20(15)35-22)19(32)5-4-17-10-18(30-12-29-17)14-2-7-21(28-11-14)23(25,26)27/h1-3,5-7,9,13-16,21H,4,8,10-12H2;2*1-2,4,6-7,9,11-12,14-16,22H,3,5,8,10,13H2;3-5,7-14,31,33H,2,6H2,1H3;2*1-2,4,6,9-10,12-15,20H,3,5,7-8,11H2;2-4,6-7,9-14,31H,5,8H2,1H3;2-3,6-13,31H,4-5H2,1H3/t21-;2*22-;14-;2*20-;14-;13-/m00000000/s1
InChIKeyJUCLNKSYBKGBQA-SIRBAIFYSA-N
MW4246.15 g/mol
LogP39.44
Rot. Bonds60

About 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide

1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide (PubChem CID 159024383) has the molecular formula C200H165F27N26O34S8 and a molecular weight of 4246.15 g/mol. Its IUPAC name is 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound Name1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide
PubChem CID159024383
Molecular FormulaC200H165F27N26O34S8
Molecular Weight4246.15 g/mol
Exact Mass4242.93
IUPAC Name1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1cc(-c2ccc(C(F)(F)F)nc2)ncn1.C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1.C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1ccnc(-c2ccc(C(F)(F)F)cc2O)c1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cc(-c2ncc(C(F)(F)F)cn2)ccn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cccc(-c2cnc(C(F)(F)F)cn2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1ccnc(-c2cnc(C(F)(F)F)nc2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/3C26H22F3N3O4S.C25H20F4N2O5S.2C25H21F3N4O4S.C24H19F4N3O5S.C23H18F4N4O4S/c27-26(28,29)24-16-30-20(15-31-24)18-7-3-5-17(13-18)10-11-22(33)21-8-4-12-32(21)37(34,35)25-14-19-6-1-2-9-23(19)36-25;2*27-26(28,29)19-7-9-21(31-16-19)17-11-12-30-20(14-17)8-10-23(33)22-5-3-13-32(22)37(34,35)25-15-18-4-1-2-6-24(18)36-25;1-14(31-37(34,35)24-12-16-11-18(26)4-7-23(16)36-24)21(32)6-2-15-8-9-30-20(10-15)19-5-3-17(13-22(19)33)25(27,28)29;26-25(27,28)24-30-14-18(15-31-24)19-12-16(9-10-29-19)7-8-21(33)20-5-3-11-32(20)37(34,35)23-13-17-4-1-2-6-22(17)36-23;26-25(27,28)18-14-30-24(31-15-18)17-9-10-29-19(12-17)7-8-21(33)20-5-3-11-32(20)37(34,35)23-13-16-4-1-2-6-22(16)36-23;1-14(31-37(33,34)23-11-16-10-17(25)4-9-22(16)35-23)21(32)8-5-18-12-20(30-13-29-18)15-2-6-19(7-3-15)36-24(26,27)28;1-13(31-36(33,34)22-9-15-8-16(24)3-6-20(15)35-22)19(32)5-4-17-10-18(30-12-29-17)14-2-7-21(28-11-14)23(25,26)27/h1-3,5-7,9,13-16,21H,4,8,10-12H2;2*1-2,4,6-7,9,11-12,14-16,22H,3,5,8,10,13H2;3-5,7-14,31,33H,2,6H2,1H3;2*1-2,4,6,9-10,12-15,20H,3,5,7-8,11H2;2-4,6-7,9-14,31H,5,8H2,1H3;2-3,6-13,31H,4-5H2,1H3/t21-;2*22-;14-;2*20-;14-;13-/m00000000/s1
InChIKeyJUCLNKSYBKGBQA-SIRBAIFYSA-N
XLogP39.44
TPSA828.57 Ų
H-Bond Donors4
H-Bond Acceptors52
Rotatable Bonds60
Heavy Atoms295
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004246.15
LogP ≤ 539.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1052

Analyze 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide with MolForge

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Related Compounds

CID 157269859
CID 157269859
N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 157458745
CID 157660747
CID 157660747
3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-5-methylpyrrolidin-2-yl]propan-1-one;1-[(2S,4R,5S)-1-(3,4-difluorophenyl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;1-[(2S,4R,5S)-1-(3,4-difluorophenyl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]propan-1-one
CID 157712923
1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one
CID 158221400
1-[1-(1-Benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one
CID 158221402
3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-5-methylpyrrolidin-2-yl]propan-1-one;3-[2-cyclopropyl-6-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;1-[(2S,4R,5S)-1-(3,4-difluorophenyl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;1-[(2S,4R,5S)-1-(3,4-difluorophenyl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;4-[(2S,3R,5S)-3-fluoro-2-methyl-5-[3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propanoyl]pyrrolidin-1-yl]sulfonylbenzonitrile
CID 158238405
CID 158375074
CID 158375074
CID 158375081
CID 158375081
1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;5-[(2S,3R,5S)-3-fluoro-2-methyl-5-[3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propanoyl]pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 158410400
CID 158465726
CID 158465726
CID 158691213
CID 158691213

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide?
The IUPAC name of 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide (CID 159024383) is 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide?
The canonical SMILES for 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide is C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1cc(-c2ccc(C(F)(F)F)nc2)ncn1.C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1.C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1ccnc(-c2ccc(C(F)(F)F)cc2O)c1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cc(-c2ncc(C(F)(F)F)cn2)ccn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cccc(-c2cnc(C(F)(F)F)cn2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1ccnc(-c2cnc(C(F)(F)F)nc2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide?
The InChIKey is JUCLNKSYBKGBQA-SIRBAIFYSA-N. The full InChI is InChI=1S/3C26H22F3N3O4S.C25H20F4N2O5S.2C25H21F3N4O4S.C24H19F4N3O5S.C23H18F4N4O4S/c27-26(28,29)24-16-30-20(15-31-24)18-7-3-5-17(13-18)10-11-22(33)21-8-4-12-32(21)37(34,35)25-14-19-6-1-2-9-23(19)36-25;2*27-26(28,29)19-7-9-21(31-16-19)17-11-12-30-20(14-17)8-10-23(33)22-5-3-13-32(22)37(34,35)25-15-18-4-1-2-6-24(18)36-25;1-14(31-37(34,35)24-12-16-11-18(26)4-7-23(16)36-24)21(32)6-2-15-8-9-30-20(10-15)19-5-3-17(13-22(19)33)25(27,28)29;26-25(27,28)24-30-14-18(15-31-24)19-12-16(9-10-29-19)7-8-21(33)20-5-3-11-32(20)37(34,35)23-13-17-4-1-2-6-22(17)36-23;26-25(27,28)18-14-30-24(31-15-18)17-9-10-29-19(12-17)7-8-21(33)20-5-3-11-32(20)37(34,35)23-13-16-4-1-2-6-22(16)36-23;1-14(31-37(33,34)23-11-16-10-17(25)4-9-22(16)35-23)21(32)8-5-18-12-20(30-13-29-18)15-2-6-19(7-3-15)36-24(26,27)28;1-13(31-36(33,34)22-9-15-8-16(24)3-6-20(15)35-22)19(32)5-4-17-10-18(30-12-29-17)14-2-7-21(28-11-14)23(25,26)27/h1-3,5-7,9,13-16,21H,4,8,10-12H2;2*1-2,4,6-7,9,11-12,14-16,22H,3,5,8,10,13H2;3-5,7-14,31,33H,2,6H2,1H3;2*1-2,4,6,9-10,12-15,20H,3,5,7-8,11H2;2-4,6-7,9-14,31H,5,8H2,1H3;2-3,6-13,31H,4-5H2,1H3/t21-;2*22-;14-;2*20-;14-;13-/m00000000/s1.
What are the key properties of 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide?
1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide has a molecular weight of 4246.15 g/mol, XLogP of 39.44, 60 rotatable bonds, 4 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 159024383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).