4-[(3S)-3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,5-dimethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C135H152Cl3FN26O21S12 — CID 158304089

IUPAC4-[(3S)-3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,5-dimethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
SMILESCC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2cc(Cl)c(Cl)cc21.CC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@H](C)n1ccc2ccccc21.COc1cc(OC)cc(OC2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1.Cc1cccc2c1CCN2[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.O=C(Cn1ccc2c(F)cccc21)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C1[C@@H](NCc2ccc(Cl)cc2)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/C25H27N5O3S2.C24H23Cl2N5O3S2.C23H22FN5O3S2.C22H22N4O3S2.C21H21N3O6S2.C20H19ClN4O3S2.9H2/c1-18-17-28(21-7-9-22(10-8-21)35(32,33)27-25-26-12-16-34-25)14-15-29(18)24(31)19(2)30-13-11-20-5-3-4-6-23(20)30;1-16(31-8-6-17-14-20(25)21(26)15-22(17)31)23(32)30-11-9-29(10-12-30)18-2-4-19(5-3-18)36(33,34)28-24-27-7-13-35-24;24-20-2-1-3-21-19(20)8-10-29(21)16-22(30)28-13-11-27(12-14-28)17-4-6-18(7-5-17)34(31,32)26-23-25-9-15-33-23;1-15-3-2-4-19-18(15)9-12-26(19)20-10-13-25(21(20)27)16-5-7-17(8-6-16)31(28,29)24-22-23-11-14-30-22;1-28-15-11-16(29-2)13-17(12-15)30-19-7-9-24(20(19)25)14-3-5-18(6-4-14)32(26,27)23-21-22-8-10-31-21;21-15-3-1-14(2-4-15)13-23-18-9-11-25(19(18)26)16-5-7-17(8-6-16)30(27,28)24-20-22-10-12-29-20;;;;;;;;;/h3-13,16,18-19H,14-15,17H2,1-2H3,(H,26,27);2-8,13-16H,9-12H2,1H3,(H,27,28);1-10,15H,11-14,16H2,(H,25,26);2-8,11,14,20H,9-10,12-13H2,1H3,(H,23,24);3-6,8,10-13,19H,7,9H2,1-2H3,(H,22,23);1-8,10,12,18,23H,9,11,13H2,(H,22,24);9*1H/t18?,19-;;;20-;;18-;;;;;;;;;/m0..0.0........./s1
InChIKeyGMWBZARYTWRSKA-RVYXFDRTSA-N
MW2985.02 g/mol
LogP24.97
Rot. Bonds38

About 4-[(3S)-3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,5-dimethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[(3S)-3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,5-dimethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 158304089) has the molecular formula C135H152Cl3FN26O21S12 and a molecular weight of 2985.02 g/mol. Its IUPAC name is 4-[(3S)-3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,5-dimethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-[(3S)-3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,5-dimethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
PubChem CID158304089
Molecular FormulaC135H152Cl3FN26O21S12
Molecular Weight2985.02 g/mol
Exact Mass2980.73
IUPAC Name4-[(3S)-3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,5-dimethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
SMILESCC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2cc(Cl)c(Cl)cc21.CC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@H](C)n1ccc2ccccc21.COc1cc(OC)cc(OC2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1.Cc1cccc2c1CCN2[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.O=C(Cn1ccc2c(F)cccc21)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C1[C@@H](NCc2ccc(Cl)cc2)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/C25H27N5O3S2.C24H23Cl2N5O3S2.C23H22FN5O3S2.C22H22N4O3S2.C21H21N3O6S2.C20H19ClN4O3S2.9H2/c1-18-17-28(21-7-9-22(10-8-21)35(32,33)27-25-26-12-16-34-25)14-15-29(18)24(31)19(2)30-13-11-20-5-3-4-6-23(20)30;1-16(31-8-6-17-14-20(25)21(26)15-22(17)31)23(32)30-11-9-29(10-12-30)18-2-4-19(5-3-18)36(33,34)28-24-27-7-13-35-24;24-20-2-1-3-21-19(20)8-10-29(21)16-22(30)28-13-11-27(12-14-28)17-4-6-18(7-5-17)34(31,32)26-23-25-9-15-33-23;1-15-3-2-4-19-18(15)9-12-26(19)20-10-13-25(21(20)27)16-5-7-17(8-6-16)31(28,29)24-22-23-11-14-30-22;1-28-15-11-16(29-2)13-17(12-15)30-19-7-9-24(20(19)25)14-3-5-18(6-4-14)32(26,27)23-21-22-8-10-31-21;21-15-3-1-14(2-4-15)13-23-18-9-11-25(19(18)26)16-5-7-17(8-6-16)30(27,28)24-20-22-10-12-29-20;;;;;;;;;/h3-13,16,18-19H,14-15,17H2,1-2H3,(H,26,27);2-8,13-16H,9-12H2,1H3,(H,27,28);1-10,15H,11-14,16H2,(H,25,26);2-8,11,14,20H,9-10,12-13H2,1H3,(H,23,24);3-6,8,10-13,19H,7,9H2,1-2H3,(H,22,23);1-8,10,12,18,23H,9,11,13H2,(H,22,24);9*1H/t18?,19-;;;20-;;18-;;;;;;;;;/m0..0.0........./s1
InChIKeyGMWBZARYTWRSKA-RVYXFDRTSA-N
XLogP24.97
TPSA543.69 Ų
H-Bond Donors7
H-Bond Acceptors41
Rotatable Bonds38
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002985.02
LogP ≤ 524.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1041

Analyze 4-[(3S)-3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,5-dimethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen with MolForge

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Related Compounds

4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 157271536
4-[(3R)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 157885060
4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-3-methylbutanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;2-(6-chloroindol-1-yl)-N-[(3S)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;3-[4-[(2S)-2-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(2,3-dihydro-1H-inden-2-yl)-2-oxo-1,3-diazinan-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159015994
4-[4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(2-indol-1-ylpropanoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 159072118
2-(2,3-dichlorophenoxy)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[3-(2,5-dimethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-methyl-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159616389
4-[3-[3,5-bis(trifluoromethyl)phenoxy]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[4-[2-(6-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1,3-thiazol-2-amine
CID 161333875
4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide
CID 161561192
2-(4-chloro-3-fluorophenoxy)-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide;4-[(3S)-3-(ethylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2,4-dichlorophenyl)carbamate
CID 157159034
3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 157344314
3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(5-chloro-1H-indol-3-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoro-1H-indol-3-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 157372666
4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-4-[2-(2,3-dichlorophenoxy)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 157564520
azane;4-[(3S)-3-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[(2-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(3-methylindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 157877967

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,5-dimethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The IUPAC name of 4-[(3S)-3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,5-dimethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 158304089) is 4-[(3S)-3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,5-dimethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 4-[(3S)-3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,5-dimethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The canonical SMILES for 4-[(3S)-3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,5-dimethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2cc(Cl)c(Cl)cc21.CC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@H](C)n1ccc2ccccc21.COc1cc(OC)cc(OC2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1.Cc1cccc2c1CCN2[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.O=C(Cn1ccc2c(F)cccc21)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C1[C@@H](NCc2ccc(Cl)cc2)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 4-[(3S)-3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,5-dimethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The InChIKey is GMWBZARYTWRSKA-RVYXFDRTSA-N. The full InChI is InChI=1S/C25H27N5O3S2.C24H23Cl2N5O3S2.C23H22FN5O3S2.C22H22N4O3S2.C21H21N3O6S2.C20H19ClN4O3S2.9H2/c1-18-17-28(21-7-9-22(10-8-21)35(32,33)27-25-26-12-16-34-25)14-15-29(18)24(31)19(2)30-13-11-20-5-3-4-6-23(20)30;1-16(31-8-6-17-14-20(25)21(26)15-22(17)31)23(32)30-11-9-29(10-12-30)18-2-4-19(5-3-18)36(33,34)28-24-27-7-13-35-24;24-20-2-1-3-21-19(20)8-10-29(21)16-22(30)28-13-11-27(12-14-28)17-4-6-18(7-5-17)34(31,32)26-23-25-9-15-33-23;1-15-3-2-4-19-18(15)9-12-26(19)20-10-13-25(21(20)27)16-5-7-17(8-6-16)31(28,29)24-22-23-11-14-30-22;1-28-15-11-16(29-2)13-17(12-15)30-19-7-9-24(20(19)25)14-3-5-18(6-4-14)32(26,27)23-21-22-8-10-31-21;21-15-3-1-14(2-4-15)13-23-18-9-11-25(19(18)26)16-5-7-17(8-6-16)30(27,28)24-20-22-10-12-29-20;;;;;;;;;/h3-13,16,18-19H,14-15,17H2,1-2H3,(H,26,27);2-8,13-16H,9-12H2,1H3,(H,27,28);1-10,15H,11-14,16H2,(H,25,26);2-8,11,14,20H,9-10,12-13H2,1H3,(H,23,24);3-6,8,10-13,19H,7,9H2,1-2H3,(H,22,23);1-8,10,12,18,23H,9,11,13H2,(H,22,24);9*1H/t18?,19-;;;20-;;18-;;;;;;;;;/m0..0.0........./s1.
What are the key properties of 4-[(3S)-3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,5-dimethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
4-[(3S)-3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,5-dimethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 2985.02 g/mol, XLogP of 24.97, 38 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,5-dimethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158304089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).