4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[3-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen

C73H81ClF2N18O9S4 — CID 158061086

About 4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[3-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen

4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[3-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 158061086) has the molecular formula C73H81ClF2N18O9S4 and a molecular weight of 1556.28 g/mol. Its IUPAC name is 4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[3-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[3-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 158061086
• Molecular Formula: C73H81ClF2N18O9S4
• Molecular Weight: 1556.28 g/mol
• Exact Mass: 1554.50
• IUPAC Name: 4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[3-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen
• SMILES: C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CCN1C(=O)CCn1ccc2c(F)cccc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)n1ccc2c(F)cccc21.O=C(Cn1ccc2ccc(Cl)cc21)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H27FN6O3S.C24H23ClN6O3S.C23H23FN6O3S2.4H2/c1-19-17-32(20-5-7-21(8-6-20)37(35,36)30-25-9-12-28-18-29-25)15-16-33(19)26(34)11-14-31-13-10-22-23(27)3-2-4-24(22)31;25-19-2-1-18-8-10-31(22(18)15-19)16-24(32)30-13-11-29(12-14-30)20-3-5-21(6-4-20)35(33,34)28-23-7-9-26-17-27-23;1-16(30-10-9-19-20(24)3-2-4-21(19)30)22(31)29-13-11-28(12-14-29)17-5-7-18(8-6-17)35(32,33)27-23-25-15-26-34-23;;;;/h2-10,12-13,18-19H,11,14-17H2,1H3,(H,28,29,30);1-10,15,17H,11-14,16H2,(H,26,27,28);2-10,15-16H,11-14H2,1H3,(H,25,26,27);4*1H/t19-;;16-;;;;/m1.1..../s1
• InChIKey: FKQNXSWUKNZWAE-HFAHSTMMSA-N
• XLogP: 11.06
• TPSA: 301.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1556.28
LogP ≤ 5	11.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[3-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[3-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen (CID 158061086) is 4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[3-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[3-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[3-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen is C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CCN1C(=O)CCn1ccc2c(F)cccc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)n1ccc2c(F)cccc21.O=C(Cn1ccc2ccc(Cl)cc21)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[3-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is FKQNXSWUKNZWAE-HFAHSTMMSA-N. The full InChI is InChI=1S/C26H27FN6O3S.C24H23ClN6O3S.C23H23FN6O3S2.4H2/c1-19-17-32(20-5-7-21(8-6-20)37(35,36)30-25-9-12-28-18-29-25)15-16-33(19)26(34)11-14-31-13-10-22-23(27)3-2-4-24(22)31;25-19-2-1-18-8-10-31(22(18)15-19)16-24(32)30-13-11-29(12-14-30)20-3-5-21(6-4-20)35(33,34)28-23-7-9-26-17-27-23;1-16(30-10-9-19-20(24)3-2-4-21(19)30)22(31)29-13-11-28(12-14-29)17-5-7-18(8-6-17)35(32,33)27-23-25-15-26-34-23;;;;/h2-10,12-13,18-19H,11,14-17H2,1H3,(H,28,29,30);1-10,15,17H,11-14,16H2,(H,26,27,28);2-10,15-16H,11-14H2,1H3,(H,25,26,27);4*1H/t19-;;16-;;;;/m1.1..../s1.

What are the key properties of 4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[3-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen?

4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[3-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 1556.28 g/mol, XLogP of 11.06, 19 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[3-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158061086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).