4-[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-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

C74H85Cl2N15O9S5 — CID 157128338

About 4-[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-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

4-[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-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (PubChem CID 157128338) has the molecular formula C74H85Cl2N15O9S5 and a molecular weight of 1559.83 g/mol. Its IUPAC name is 4-[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-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[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-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
• PubChem CID: 157128338
• Molecular Formula: C74H85Cl2N15O9S5
• Molecular Weight: 1559.83 g/mol
• Exact Mass: 1557.46
• IUPAC Name: 4-[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-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
• SMILES: CC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@@H](C)n1ccc2ccc(Cl)cc21.O=C(CC1Cc2ccccc2C1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(CCn1ccc2cc(Cl)ccc21)N1CCC(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H26ClN5O3S2.C25H27N5O3S.C24H24ClN5O3S2.4H2/c1-17-16-29(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;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;;;;/h3-11,14-15,17-18H,12-13,16H2,1-2H3,(H,27,28);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);4*1H/t17?,18-;;;;;;/m1....../s1
• InChIKey: AITMSIUJPBJWMS-KQHJVGEXSA-N
• XLogP: 13.31
• TPSA: 280.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1559.83
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[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-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[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-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (CID 157128338) is 4-[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-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[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-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[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-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is CC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@@H](C)n1ccc2ccc(Cl)cc21.O=C(CC1Cc2ccccc2C1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(CCn1ccc2cc(Cl)ccc21)N1CCC(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[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-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The InChIKey is AITMSIUJPBJWMS-KQHJVGEXSA-N. The full InChI is InChI=1S/C25H26ClN5O3S2.C25H27N5O3S.C24H24ClN5O3S2.4H2/c1-17-16-29(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;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;;;;/h3-11,14-15,17-18H,12-13,16H2,1-2H3,(H,27,28);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);4*1H/t17?,18-;;;;;;/m1....../s1.

What are the key properties of 4-[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-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

4-[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-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen has a molecular weight of 1559.83 g/mol, XLogP of 13.31, 19 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[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-(2,3-dihydro-1H-inden-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 157128338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).