tert-butyl 5-chloro-1'-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;4-[(3S)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(6-chloropyridazin-3-yl)-4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]benzenesulfonamide;4-[(3R)-4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C146H157Cl5F4N30O21S11 — CID 158598761

IUPACtert-butyl 5-chloro-1'-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;4-[(3S)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(6-chloropyridazin-3-yl)-4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]benzenesulfonamide;4-[(3R)-4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
SMILESCC(C)(C)OC(=O)N1CC2(CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)c2cc(Cl)ccc21.C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@@H](C)n1ccc2cccc(F)c21.O=C(CCn1ccc2cc(Cl)ccc21)N1CCC(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(CCn1ccc2cc(Cl)ccc21)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1.O=C(Cn1ccc2ccc(C(F)(F)F)cc21)N1CCN(c2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)C(=O)C1.O=C1[C@@H](Nc2nc3ccc(Cl)cc3s2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H26ClN5O3S.C26H29ClN4O4S2.C25H20ClF3N6O4S.C25H26FN5O3S2.C24H22ClN5O4S2.C20H16ClN5O3S3.9H2/c27-22-3-6-24-21(17-22)10-13-31(24)16-11-26(33)32-14-8-20(9-15-32)19-1-4-23(5-2-19)36(34,35)30-25-7-12-28-18-29-25;1-25(2,3)35-24(32)31-17-26(21-16-18(27)4-9-22(21)31)10-13-30(14-11-26)19-5-7-20(8-6-19)37(33,34)29-23-28-12-15-36-23;26-21-7-8-22(31-30-21)32-40(38,39)19-5-3-18(4-6-19)35-12-11-34(15-24(35)37)23(36)14-33-10-9-16-1-2-17(13-20(16)33)25(27,28)29;1-17-16-29(20-6-8-21(9-7-20)36(33,34)28-25-27-11-15-35-25)13-14-30(17)24(32)18(2)31-12-10-19-4-3-5-22(26)23(19)31;25-18-1-6-21-17(15-18)7-10-28(21)11-8-22(31)29-12-13-30(23(32)16-29)19-2-4-20(5-3-19)36(33,34)27-24-26-9-14-35-24;21-12-1-6-15-17(11-12)31-20(23-15)24-16-7-9-26(18(16)27)13-2-4-14(5-3-13)32(28,29)25-19-22-8-10-30-19;;;;;;;;;/h1-7,10,12-13,17-18,20H,8-9,11,14-16H2,(H,28,29,30);4-9,12,15-16H,10-11,13-14,17H2,1-3H3,(H,28,29);1-10,13H,11-12,14-15H2,(H,31,32);3-12,15,17-18H,13-14,16H2,1-2H3,(H,27,28);1-7,9-10,14-15H,8,11-13,16H2,(H,26,27);1-6,8,10-11,16H,7,9H2,(H,22,25)(H,23,24);9*1H/t;;;17-,18-;;16-;;;;;;;;;/m...1.0........./s1
InChIKeyHVJBHRXBPLMFCI-FXXHAXHQSA-N
MW3274.04 g/mol
LogP29.14
Rot. Bonds36

About tert-butyl 5-chloro-1'-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;4-[(3S)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(6-chloropyridazin-3-yl)-4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]benzenesulfonamide;4-[(3R)-4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

tert-butyl 5-chloro-1'-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;4-[(3S)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(6-chloropyridazin-3-yl)-4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]benzenesulfonamide;4-[(3R)-4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 158598761) has the molecular formula C146H157Cl5F4N30O21S11 and a molecular weight of 3274.04 g/mol. Its IUPAC name is tert-butyl 5-chloro-1'-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;4-[(3S)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(6-chloropyridazin-3-yl)-4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]benzenesulfonamide;4-[(3R)-4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl 5-chloro-1'-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;4-[(3S)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(6-chloropyridazin-3-yl)-4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]benzenesulfonamide;4-[(3R)-4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
PubChem CID158598761
Molecular FormulaC146H157Cl5F4N30O21S11
Molecular Weight3274.04 g/mol
Exact Mass3268.74
IUPAC Nametert-butyl 5-chloro-1'-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;4-[(3S)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(6-chloropyridazin-3-yl)-4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]benzenesulfonamide;4-[(3R)-4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
SMILESCC(C)(C)OC(=O)N1CC2(CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)c2cc(Cl)ccc21.C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@@H](C)n1ccc2cccc(F)c21.O=C(CCn1ccc2cc(Cl)ccc21)N1CCC(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(CCn1ccc2cc(Cl)ccc21)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1.O=C(Cn1ccc2ccc(C(F)(F)F)cc21)N1CCN(c2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)C(=O)C1.O=C1[C@@H](Nc2nc3ccc(Cl)cc3s2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H26ClN5O3S.C26H29ClN4O4S2.C25H20ClF3N6O4S.C25H26FN5O3S2.C24H22ClN5O4S2.C20H16ClN5O3S3.9H2/c27-22-3-6-24-21(17-22)10-13-31(24)16-11-26(33)32-14-8-20(9-15-32)19-1-4-23(5-2-19)36(34,35)30-25-7-12-28-18-29-25;1-25(2,3)35-24(32)31-17-26(21-16-18(27)4-9-22(21)31)10-13-30(14-11-26)19-5-7-20(8-6-19)37(33,34)29-23-28-12-15-36-23;26-21-7-8-22(31-30-21)32-40(38,39)19-5-3-18(4-6-19)35-12-11-34(15-24(35)37)23(36)14-33-10-9-16-1-2-17(13-20(16)33)25(27,28)29;1-17-16-29(20-6-8-21(9-7-20)36(33,34)28-25-27-11-15-35-25)13-14-30(17)24(32)18(2)31-12-10-19-4-3-5-22(26)23(19)31;25-18-1-6-21-17(15-18)7-10-28(21)11-8-22(31)29-12-13-30(23(32)16-29)19-2-4-20(5-3-19)36(33,34)27-24-26-9-14-35-24;21-12-1-6-15-17(11-12)31-20(23-15)24-16-7-9-26(18(16)27)13-2-4-14(5-3-13)32(28,29)25-19-22-8-10-30-19;;;;;;;;;/h1-7,10,12-13,17-18,20H,8-9,11,14-16H2,(H,28,29,30);4-9,12,15-16H,10-11,13-14,17H2,1-3H3,(H,28,29);1-10,13H,11-12,14-15H2,(H,31,32);3-12,15,17-18H,13-14,16H2,1-2H3,(H,27,28);1-7,9-10,14-15H,8,11-13,16H2,(H,26,27);1-6,8,10-11,16H,7,9H2,(H,22,25)(H,23,24);9*1H/t;;;17-,18-;;16-;;;;;;;;;/m...1.0........./s1
InChIKeyHVJBHRXBPLMFCI-FXXHAXHQSA-N
XLogP29.14
TPSA602.97 Ų
H-Bond Donors7
H-Bond Acceptors42
Rotatable Bonds36
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003274.04
LogP ≤ 529.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1042

Analyze tert-butyl 5-chloro-1'-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;4-[(3S)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(6-chloropyridazin-3-yl)-4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]benzenesulfonamide;4-[(3R)-4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen with MolForge

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Related Compounds

(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-[4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]piperazin-1-yl]propan-1-one;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;dihydrate
CID 157247741
4-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[4-[3-(3-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-[(3-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide
CID 157387108
4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine;5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 157653518
4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-4-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide
CID 158535217
tert-butyl N-[[1-[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]piperidin-4-yl]methyl]carbamate;4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3R)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159525742
4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-4-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide
CID 160447019
4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide
CID 160878671
4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide;(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[(3S)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[2-(3-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 161677059
4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(5,6-dichlorobenzimidazol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(7-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-4-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide
CID 162130237
4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,6-dichlorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(3-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 158239373
4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(6-fluoropyridazin-3-yl)benzenesulfonamide;4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(3-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 160110216
4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 160331353

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-chloro-1'-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;4-[(3S)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(6-chloropyridazin-3-yl)-4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]benzenesulfonamide;4-[(3R)-4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The IUPAC name of tert-butyl 5-chloro-1'-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;4-[(3S)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(6-chloropyridazin-3-yl)-4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]benzenesulfonamide;4-[(3R)-4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 158598761) is tert-butyl 5-chloro-1'-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;4-[(3S)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(6-chloropyridazin-3-yl)-4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]benzenesulfonamide;4-[(3R)-4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for tert-butyl 5-chloro-1'-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;4-[(3S)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(6-chloropyridazin-3-yl)-4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]benzenesulfonamide;4-[(3R)-4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The canonical SMILES for tert-butyl 5-chloro-1'-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;4-[(3S)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(6-chloropyridazin-3-yl)-4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]benzenesulfonamide;4-[(3R)-4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is CC(C)(C)OC(=O)N1CC2(CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)c2cc(Cl)ccc21.C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@@H](C)n1ccc2cccc(F)c21.O=C(CCn1ccc2cc(Cl)ccc21)N1CCC(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(CCn1ccc2cc(Cl)ccc21)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1.O=C(Cn1ccc2ccc(C(F)(F)F)cc21)N1CCN(c2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)C(=O)C1.O=C1[C@@H](Nc2nc3ccc(Cl)cc3s2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of tert-butyl 5-chloro-1'-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;4-[(3S)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(6-chloropyridazin-3-yl)-4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]benzenesulfonamide;4-[(3R)-4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The InChIKey is HVJBHRXBPLMFCI-FXXHAXHQSA-N. The full InChI is InChI=1S/C26H26ClN5O3S.C26H29ClN4O4S2.C25H20ClF3N6O4S.C25H26FN5O3S2.C24H22ClN5O4S2.C20H16ClN5O3S3.9H2/c27-22-3-6-24-21(17-22)10-13-31(24)16-11-26(33)32-14-8-20(9-15-32)19-1-4-23(5-2-19)36(34,35)30-25-7-12-28-18-29-25;1-25(2,3)35-24(32)31-17-26(21-16-18(27)4-9-22(21)31)10-13-30(14-11-26)19-5-7-20(8-6-19)37(33,34)29-23-28-12-15-36-23;26-21-7-8-22(31-30-21)32-40(38,39)19-5-3-18(4-6-19)35-12-11-34(15-24(35)37)23(36)14-33-10-9-16-1-2-17(13-20(16)33)25(27,28)29;1-17-16-29(20-6-8-21(9-7-20)36(33,34)28-25-27-11-15-35-25)13-14-30(17)24(32)18(2)31-12-10-19-4-3-5-22(26)23(19)31;25-18-1-6-21-17(15-18)7-10-28(21)11-8-22(31)29-12-13-30(23(32)16-29)19-2-4-20(5-3-19)36(33,34)27-24-26-9-14-35-24;21-12-1-6-15-17(11-12)31-20(23-15)24-16-7-9-26(18(16)27)13-2-4-14(5-3-13)32(28,29)25-19-22-8-10-30-19;;;;;;;;;/h1-7,10,12-13,17-18,20H,8-9,11,14-16H2,(H,28,29,30);4-9,12,15-16H,10-11,13-14,17H2,1-3H3,(H,28,29);1-10,13H,11-12,14-15H2,(H,31,32);3-12,15,17-18H,13-14,16H2,1-2H3,(H,27,28);1-7,9-10,14-15H,8,11-13,16H2,(H,26,27);1-6,8,10-11,16H,7,9H2,(H,22,25)(H,23,24);9*1H/t;;;17-,18-;;16-;;;;;;;;;/m...1.0........./s1.
What are the key properties of tert-butyl 5-chloro-1'-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;4-[(3S)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(6-chloropyridazin-3-yl)-4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]benzenesulfonamide;4-[(3R)-4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
tert-butyl 5-chloro-1'-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;4-[(3S)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(6-chloropyridazin-3-yl)-4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]benzenesulfonamide;4-[(3R)-4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 3274.04 g/mol, XLogP of 29.14, 36 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-chloro-1'-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;4-[(3S)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(6-chloropyridazin-3-yl)-4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]benzenesulfonamide;4-[(3R)-4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158598761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).