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

C145H166Cl2F4N32O19S11 — CID 157387108

IUPAC4-[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
SMILESCC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nncs3)cc2)CC1)n1ccc2cc(F)ccc21.CC(C)(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1)N1CCCc2cc(Cl)ccc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccc(C(F)(F)F)cc21.Cc1cccc(CN[C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1.Cc1cn(CCC(=O)N2CCN(c3ccc(S(=O)(=O)Nc4ccncn4)cc3)CC2)c2ccccc12.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)C(C)n4ccc5cc(Cl)ccc54)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H28ClN5O4S2.C26H28N6O3S.C25H24F3N5O3S2.C24H25ClN6O3S2.C23H23FN6O3S2.C21H22N4O3S2.8H2/c1-26(2,32-12-3-4-18-16-19(27)5-10-22(18)32)24(34)30-13-14-31(23(33)17-30)20-6-8-21(9-7-20)38(35,36)29-25-28-11-15-37-25;1-20-18-32(24-5-3-2-4-23(20)24)13-11-26(33)31-16-14-30(15-17-31)21-6-8-22(9-7-21)36(34,35)29-25-10-12-27-19-28-25;1-17(33-10-8-18-2-3-19(16-22(18)33)25(26,27)28)23(34)32-13-11-31(12-14-32)20-4-6-21(7-5-20)38(35,36)30-24-29-9-15-37-24;1-16(31-10-9-18-15-19(25)3-8-22(18)31)23(32)30-13-11-29(12-14-30)20-4-6-21(7-5-20)36(33,34)28-24-26-17(2)27-35-24;1-16(30-9-8-17-14-18(24)2-7-21(17)30)22(31)29-12-10-28(11-13-29)19-3-5-20(6-4-19)35(32,33)27-23-26-25-15-34-23;1-15-3-2-4-16(13-15)14-23-19-9-11-25(20(19)26)17-5-7-18(8-6-17)30(27,28)24-21-22-10-12-29-21;;;;;;;;/h5-11,15-16H,3-4,12-14,17H2,1-2H3,(H,28,29);2-10,12,18-19H,11,13-17H2,1H3,(H,27,28,29);2-10,15-17H,11-14H2,1H3,(H,29,30);3-10,15-16H,11-14H2,1-2H3,(H,26,27,28);2-9,14-16H,10-13H2,1H3,(H,26,27);2-8,10,12-13,19,23H,9,11,14H2,1H3,(H,22,24);8*1H/t;;17-;;;19-;;;;;;;;/m..1..0......../s1
InChIKeyBLOKFMIELYJKOX-DHPUOPTBSA-N
MW3160.76 g/mol
LogP24.73
Rot. Bonds38

About 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

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 (PubChem CID 157387108) has the molecular formula C145H166Cl2F4N32O19S11 and a molecular weight of 3160.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID157387108
Molecular FormulaC145H166Cl2F4N32O19S11
Molecular Weight3160.76 g/mol
Exact Mass3156.92
IUPAC Name4-[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
SMILESCC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nncs3)cc2)CC1)n1ccc2cc(F)ccc21.CC(C)(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1)N1CCCc2cc(Cl)ccc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccc(C(F)(F)F)cc21.Cc1cccc(CN[C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1.Cc1cn(CCC(=O)N2CCN(c3ccc(S(=O)(=O)Nc4ccncn4)cc3)CC2)c2ccccc12.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)C(C)n4ccc5cc(Cl)ccc54)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H28ClN5O4S2.C26H28N6O3S.C25H24F3N5O3S2.C24H25ClN6O3S2.C23H23FN6O3S2.C21H22N4O3S2.8H2/c1-26(2,32-12-3-4-18-16-19(27)5-10-22(18)32)24(34)30-13-14-31(23(33)17-30)20-6-8-21(9-7-20)38(35,36)29-25-28-11-15-37-25;1-20-18-32(24-5-3-2-4-23(20)24)13-11-26(33)31-16-14-30(15-17-31)21-6-8-22(9-7-21)36(34,35)29-25-10-12-27-19-28-25;1-17(33-10-8-18-2-3-19(16-22(18)33)25(26,27)28)23(34)32-13-11-31(12-14-32)20-4-6-21(7-5-20)38(35,36)30-24-29-9-15-37-24;1-16(31-10-9-18-15-19(25)3-8-22(18)31)23(32)30-13-11-29(12-14-30)20-4-6-21(7-5-20)36(33,34)28-24-26-17(2)27-35-24;1-16(30-9-8-17-14-18(24)2-7-21(17)30)22(31)29-12-10-28(11-13-29)19-3-5-20(6-4-19)35(32,33)27-23-26-25-15-34-23;1-15-3-2-4-16(13-15)14-23-19-9-11-25(20(19)26)17-5-7-18(8-6-17)30(27,28)24-21-22-10-12-29-21;;;;;;;;/h5-11,15-16H,3-4,12-14,17H2,1-2H3,(H,28,29);2-10,12,18-19H,11,13-17H2,1H3,(H,27,28,29);2-10,15-17H,11-14H2,1H3,(H,29,30);3-10,15-16H,11-14H2,1-2H3,(H,26,27,28);2-9,14-16H,10-13H2,1H3,(H,26,27);2-8,10,12-13,19,23H,9,11,14H2,1H3,(H,22,24);8*1H/t;;17-;;;19-;;;;;;;;/m..1..0......../s1
InChIKeyBLOKFMIELYJKOX-DHPUOPTBSA-N
XLogP24.73
TPSA583.15 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds38
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003160.76
LogP ≤ 524.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Analyze 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 with MolForge

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Related Compounds

4-[3-(3-chloro-4-fluorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(2,3-dichlorophenoxy)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[(3-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 158776781
4-[(3R)-4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 159568468
4-[1-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 161028315
molecular hydrogen;4-[2-oxo-4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 157485265
4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[4-[2-(3-fluoroanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 158143874
4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 89178471
4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159615559
4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466519
4-[4-[2-(6-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 59465765
4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[(3S)-3-(2-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[1-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 158372000
4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen
CID 158616201
4-[4-[2-(5,6-difluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 24872250

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nncs3)cc2)CC1)n1ccc2cc(F)ccc21.CC(C)(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1)N1CCCc2cc(Cl)ccc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccc(C(F)(F)F)cc21.Cc1cccc(CN[C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1.Cc1cn(CCC(=O)N2CCN(c3ccc(S(=O)(=O)Nc4ccncn4)cc3)CC2)c2ccccc12.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)C(C)n4ccc5cc(Cl)ccc54)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 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?
The InChIKey is BLOKFMIELYJKOX-DHPUOPTBSA-N. The full InChI is InChI=1S/C26H28ClN5O4S2.C26H28N6O3S.C25H24F3N5O3S2.C24H25ClN6O3S2.C23H23FN6O3S2.C21H22N4O3S2.8H2/c1-26(2,32-12-3-4-18-16-19(27)5-10-22(18)32)24(34)30-13-14-31(23(33)17-30)20-6-8-21(9-7-20)38(35,36)29-25-28-11-15-37-25;1-20-18-32(24-5-3-2-4-23(20)24)13-11-26(33)31-16-14-30(15-17-31)21-6-8-22(9-7-21)36(34,35)29-25-10-12-27-19-28-25;1-17(33-10-8-18-2-3-19(16-22(18)33)25(26,27)28)23(34)32-13-11-31(12-14-32)20-4-6-21(7-5-20)38(35,36)30-24-29-9-15-37-24;1-16(31-10-9-18-15-19(25)3-8-22(18)31)23(32)30-13-11-29(12-14-30)20-4-6-21(7-5-20)36(33,34)28-24-26-17(2)27-35-24;1-16(30-9-8-17-14-18(24)2-7-21(17)30)22(31)29-12-10-28(11-13-29)19-3-5-20(6-4-19)35(32,33)27-23-26-25-15-34-23;1-15-3-2-4-16(13-15)14-23-19-9-11-25(20(19)26)17-5-7-18(8-6-17)30(27,28)24-21-22-10-12-29-21;;;;;;;;/h5-11,15-16H,3-4,12-14,17H2,1-2H3,(H,28,29);2-10,12,18-19H,11,13-17H2,1H3,(H,27,28,29);2-10,15-17H,11-14H2,1H3,(H,29,30);3-10,15-16H,11-14H2,1-2H3,(H,26,27,28);2-9,14-16H,10-13H2,1H3,(H,26,27);2-8,10,12-13,19,23H,9,11,14H2,1H3,(H,22,24);8*1H/t;;17-;;;19-;;;;;;;;/m..1..0......../s1.
What are the key properties of 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?
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 has a molecular weight of 3160.76 g/mol, XLogP of 24.73, 38 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157387108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).