4-[(3S)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(4-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;molecular hydrogen

C145H161Cl3F2N28O19S11 — CID 162125697

IUPAC4-[(3S)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(4-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;molecular hydrogen
SMILESC[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@@H]1C)n1ccc2ccc(Cl)cc21.Cc1cc2cc(Cl)ccc2n1C(C)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1C.Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(CC1Cc2ccccc2C1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(CCn1ccc2cc(Cl)ccc21)N1CCC(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1.O=C(Nc1ccc(F)cc1)C1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H28ClN5O3S2.C25H26ClN5O3S2.C25H23FN4O4S2.C25H27N5O3S.C24H24ClN5O3S2.C20H19FN4O3S2.7H2/c1-17-14-20-15-21(27)4-9-24(20)32(17)19(3)25(33)31-12-11-30(16-18(31)2)22-5-7-23(8-6-22)37(34,35)29-26-28-10-13-36-26;1-17-16-29(21-5-7-22(8-6-21)36(33,34)28-25-27-10-14-35-25)12-13-30(17)24(32)18(2)31-11-9-19-3-4-20(26)15-23(19)31;1-16-22(23(28-34-16)19-2-6-20(26)7-3-19)24(31)30-13-10-18(11-14-30)17-4-8-21(9-5-17)36(32,33)29-25-27-12-15-35-25;31-25(17-19-15-20-3-1-2-4-21(20)16-19)30-13-11-29(12-14-30)22-5-7-23(8-6-22)34(32,33)28-24-9-10-26-18-27-24;25-20-3-6-22-19(15-20)9-11-29(22)14-10-23(31)30-12-7-18(8-13-30)17-1-4-21(5-2-17)35(32,33)28-24-26-16-27-34-24;21-15-1-3-16(4-2-15)23-19(26)14-9-11-25(13-14)17-5-7-18(8-6-17)30(27,28)24-20-22-10-12-29-20;;;;;;;/h4-10,13-15,18-19H,11-12,16H2,1-3H3,(H,28,29);3-11,14-15,17-18H,12-13,16H2,1-2H3,(H,27,28);2-9,12,15,18H,10-11,13-14H2,1H3,(H,27,29);1-10,18-19H,11-17H2,(H,26,27,28);1-6,9,11,15-16,18H,7-8,10,12-14H2,(H,26,27,28);1-8,10,12,14H,9,11,13H2,(H,22,24)(H,23,26);7*1H/t;17-,18+;;;;;;;;;;;/m.0.........../s1
InChIKeyZHZLDYSFEFVMFX-UKUSOFIRSA-N
MW3097.15 g/mol
LogP27.82
Rot. Bonds37

About 4-[(3S)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(4-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;molecular hydrogen

4-[(3S)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(4-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;molecular hydrogen (PubChem CID 162125697) has the molecular formula C145H161Cl3F2N28O19S11 and a molecular weight of 3097.15 g/mol. Its IUPAC name is 4-[(3S)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(4-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-[(3S)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(4-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;molecular hydrogen
PubChem CID162125697
Molecular FormulaC145H161Cl3F2N28O19S11
Molecular Weight3097.15 g/mol
Exact Mass3092.85
IUPAC Name4-[(3S)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(4-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;molecular hydrogen
SMILESC[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@@H]1C)n1ccc2ccc(Cl)cc21.Cc1cc2cc(Cl)ccc2n1C(C)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1C.Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(CC1Cc2ccccc2C1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(CCn1ccc2cc(Cl)ccc21)N1CCC(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1.O=C(Nc1ccc(F)cc1)C1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H28ClN5O3S2.C25H26ClN5O3S2.C25H23FN4O4S2.C25H27N5O3S.C24H24ClN5O3S2.C20H19FN4O3S2.7H2/c1-17-14-20-15-21(27)4-9-24(20)32(17)19(3)25(33)31-12-11-30(16-18(31)2)22-5-7-23(8-6-22)37(34,35)29-26-28-10-13-36-26;1-17-16-29(21-5-7-22(8-6-21)36(33,34)28-25-27-10-14-35-25)12-13-30(17)24(32)18(2)31-11-9-19-3-4-20(26)15-23(19)31;1-16-22(23(28-34-16)19-2-6-20(26)7-3-19)24(31)30-13-10-18(11-14-30)17-4-8-21(9-5-17)36(32,33)29-25-27-12-15-35-25;31-25(17-19-15-20-3-1-2-4-21(20)16-19)30-13-11-29(12-14-30)22-5-7-23(8-6-22)34(32,33)28-24-9-10-26-18-27-24;25-20-3-6-22-19(15-20)9-11-29(22)14-10-23(31)30-12-7-18(8-13-30)17-1-4-21(5-2-17)35(32,33)28-24-26-16-27-34-24;21-15-1-3-16(4-2-15)23-19(26)14-9-11-25(13-14)17-5-7-18(8-6-17)30(27,28)24-20-22-10-12-29-20;;;;;;;/h4-10,13-15,18-19H,11-12,16H2,1-3H3,(H,28,29);3-11,14-15,17-18H,12-13,16H2,1-2H3,(H,27,28);2-9,12,15,18H,10-11,13-14H2,1H3,(H,27,29);1-10,18-19H,11-17H2,(H,26,27,28);1-6,9,11,15-16,18H,7-8,10,12-14H2,(H,26,27,28);1-8,10,12,14H,9,11,13H2,(H,22,24)(H,23,26);7*1H/t;17-,18+;;;;;;;;;;;/m.0.........../s1
InChIKeyZHZLDYSFEFVMFX-UKUSOFIRSA-N
XLogP27.82
TPSA564.57 Ų
H-Bond Donors7
H-Bond Acceptors40
Rotatable Bonds37
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003097.15
LogP ≤ 527.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1040

Analyze 4-[(3S)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(4-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(4-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;molecular hydrogen?
The IUPAC name of 4-[(3S)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(4-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;molecular hydrogen (CID 162125697) is 4-[(3S)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(4-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-[(3S)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(4-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;molecular hydrogen?
The canonical SMILES for 4-[(3S)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(4-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;molecular hydrogen is C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@@H]1C)n1ccc2ccc(Cl)cc21.Cc1cc2cc(Cl)ccc2n1C(C)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1C.Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(CC1Cc2ccccc2C1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(CCn1ccc2cc(Cl)ccc21)N1CCC(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1.O=C(Nc1ccc(F)cc1)C1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-[(3S)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(4-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;molecular hydrogen?
The InChIKey is ZHZLDYSFEFVMFX-UKUSOFIRSA-N. The full InChI is InChI=1S/C26H28ClN5O3S2.C25H26ClN5O3S2.C25H23FN4O4S2.C25H27N5O3S.C24H24ClN5O3S2.C20H19FN4O3S2.7H2/c1-17-14-20-15-21(27)4-9-24(20)32(17)19(3)25(33)31-12-11-30(16-18(31)2)22-5-7-23(8-6-22)37(34,35)29-26-28-10-13-36-26;1-17-16-29(21-5-7-22(8-6-21)36(33,34)28-25-27-10-14-35-25)12-13-30(17)24(32)18(2)31-11-9-19-3-4-20(26)15-23(19)31;1-16-22(23(28-34-16)19-2-6-20(26)7-3-19)24(31)30-13-10-18(11-14-30)17-4-8-21(9-5-17)36(32,33)29-25-27-12-15-35-25;31-25(17-19-15-20-3-1-2-4-21(20)16-19)30-13-11-29(12-14-30)22-5-7-23(8-6-22)34(32,33)28-24-9-10-26-18-27-24;25-20-3-6-22-19(15-20)9-11-29(22)14-10-23(31)30-12-7-18(8-13-30)17-1-4-21(5-2-17)35(32,33)28-24-26-16-27-34-24;21-15-1-3-16(4-2-15)23-19(26)14-9-11-25(13-14)17-5-7-18(8-6-17)30(27,28)24-20-22-10-12-29-20;;;;;;;/h4-10,13-15,18-19H,11-12,16H2,1-3H3,(H,28,29);3-11,14-15,17-18H,12-13,16H2,1-2H3,(H,27,28);2-9,12,15,18H,10-11,13-14H2,1H3,(H,27,29);1-10,18-19H,11-17H2,(H,26,27,28);1-6,9,11,15-16,18H,7-8,10,12-14H2,(H,26,27,28);1-8,10,12,14H,9,11,13H2,(H,22,24)(H,23,26);7*1H/t;17-,18+;;;;;;;;;;;/m.0.........../s1.
What are the key properties of 4-[(3S)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(4-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;molecular hydrogen?
4-[(3S)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(4-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;molecular hydrogen has a molecular weight of 3097.15 g/mol, XLogP of 27.82, 37 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[3-(5-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(4-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 162125697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).