N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide

C30H25Cl2N5O6S2 — CID 3368355

About N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide

N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide (PubChem CID 3368355) has the molecular formula C30H25Cl2N5O6S2 and a molecular weight of 686.60 g/mol. Its IUPAC name is N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide
• PubChem CID: 3368355
• Molecular Formula: C30H25Cl2N5O6S2
• Molecular Weight: 686.60 g/mol
• Exact Mass: 685.06
• IUPAC Name: N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide
• SMILES: Cc1c(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c2)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C30H25Cl2N5O6S2/c1-19-28(30(39)37(36(19)2)24-8-4-3-5-9-24)35-44(40,41)25-10-6-7-20(17-25)29(38)33-23-15-16-26(32)27(18-23)45(42,43)34-22-13-11-21(31)12-14-22/h3-18,34-35H,1-2H3,(H,33,38)
• InChIKey: LNPKONUVKBLWDD-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 148.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.60
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide?

The IUPAC name of N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide (CID 3368355) is N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide.

What is the SMILES notation for N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide?

The canonical SMILES for N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide is Cc1c(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c2)c(=O)n(-c2ccccc2)n1C.

What is the InChIKey of N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide?

The InChIKey is LNPKONUVKBLWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl2N5O6S2/c1-19-28(30(39)37(36(19)2)24-8-4-3-5-9-24)35-44(40,41)25-10-6-7-20(17-25)29(38)33-23-15-16-26(32)27(18-23)45(42,43)34-22-13-11-21(31)12-14-22/h3-18,34-35H,1-2H3,(H,33,38).

What are the key properties of N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide?

N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide has a molecular weight of 686.60 g/mol, XLogP of 5.65, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide is sourced from PubChem (CID 3368355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).