4-[3-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-(7-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen

C93H105Cl3N22O12S8 — CID 157175880

About 4-[3-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-(7-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen

4-[3-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-(7-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 157175880) has the molecular formula C93H105Cl3N22O12S8 and a molecular weight of 2085.90 g/mol. Its IUPAC name is 4-[3-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-(7-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[3-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-(7-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 157175880
• Molecular Formula: C93H105Cl3N22O12S8
• Molecular Weight: 2085.90 g/mol
• Exact Mass: 2082.51
• IUPAC Name: 4-[3-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-(7-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen
• SMILES: CC1CN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CCN1C(=O)CCn1ccc2cc(Cl)ccc21.C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)n1ccc2ccccc21.O=C(C1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1)N1CCc2cc(Cl)ccc21.O=C(CCn1ccc2cccc(Cl)c21)NC1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/2C24H25ClN6O3S2.C23H24N6O3S2.C22H21ClN4O3S2.5H2/c1-17-15-30(20-3-5-21(6-4-20)36(33,34)28-24-26-16-27-35-24)12-13-31(17)23(32)9-11-29-10-8-18-14-19(25)2-7-22(18)29;25-21-3-1-2-17-8-12-31(23(17)21)15-11-22(32)28-18-9-13-30(14-10-18)19-4-6-20(7-5-19)36(33,34)29-24-26-16-27-35-24;1-17(29-11-10-18-4-2-3-5-21(18)29)22(30)28-14-12-27(13-15-28)19-6-8-20(9-7-19)34(31,32)26-23-24-16-25-33-23;23-17-1-6-20-15(13-17)8-11-27(20)21(28)16-7-10-26(14-16)18-2-4-19(5-3-18)32(29,30)25-22-24-9-12-31-22;;;;;/h2-8,10,14,16-17H,9,11-13,15H2,1H3,(H,26,27,28);1-8,12,16,18H,9-11,13-15H2,(H,28,32)(H,26,27,29);2-11,16-17H,12-15H2,1H3,(H,24,25,26);1-6,9,12-13,16H,7-8,10-11,14H2,(H,24,25);5*1H/t;;17-;;;;;;/m..0....../s1
• InChIKey: ANZPAZCVVFRIOA-QFTQIEQNSA-N
• XLogP: 16.64
• TPSA: 392.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2085.90
LogP ≤ 5	16.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-(7-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[3-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-(7-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen (CID 157175880) is 4-[3-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-(7-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[3-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-(7-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[3-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-(7-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen is CC1CN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CCN1C(=O)CCn1ccc2cc(Cl)ccc21.C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)n1ccc2ccccc21.O=C(C1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1)N1CCc2cc(Cl)ccc21.O=C(CCn1ccc2cccc(Cl)c21)NC1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[3-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-(7-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is ANZPAZCVVFRIOA-QFTQIEQNSA-N. The full InChI is InChI=1S/2C24H25ClN6O3S2.C23H24N6O3S2.C22H21ClN4O3S2.5H2/c1-17-15-30(20-3-5-21(6-4-20)36(33,34)28-24-26-16-27-35-24)12-13-31(17)23(32)9-11-29-10-8-18-14-19(25)2-7-22(18)29;25-21-3-1-2-17-8-12-31(23(17)21)15-11-22(32)28-18-9-13-30(14-10-18)19-4-6-20(7-5-19)36(33,34)29-24-26-16-27-35-24;1-17(29-11-10-18-4-2-3-5-21(18)29)22(30)28-14-12-27(13-15-28)19-6-8-20(9-7-19)34(31,32)26-23-24-16-25-33-23;23-17-1-6-20-15(13-17)8-11-27(20)21(28)16-7-10-26(14-16)18-2-4-19(5-3-18)32(29,30)25-22-24-9-12-31-22;;;;;/h2-8,10,14,16-17H,9,11-13,15H2,1H3,(H,26,27,28);1-8,12,16,18H,9-11,13-15H2,(H,28,32)(H,26,27,29);2-11,16-17H,12-15H2,1H3,(H,24,25,26);1-6,9,12-13,16H,7-8,10-11,14H2,(H,24,25);5*1H/t;;17-;;;;;;/m..0....../s1.

What are the key properties of 4-[3-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-(7-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen?

4-[3-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-(7-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 2085.90 g/mol, XLogP of 16.64, 26 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-(7-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 157175880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).