N-(2-chloro-4-methylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide

C20H16ClN3O2S — CID 15989566

IUPACN-(2-chloro-4-methylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)c(Cl)c1
InChIInChI=1S/C20H16ClN3O2S/c1-13-7-9-17(16(21)11-13)24-27(25,26)15-8-10-18-19(12-15)23-20(22-18)14-5-3-2-4-6-14/h2-12,24H,1H3,(H,22,23)
InChIKeyYVBBPHXIZHSWIU-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.99
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide

N-(2-chloro-4-methylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (PubChem CID 15989566) has the molecular formula C20H16ClN3O2S and a molecular weight of 397.89 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
PubChem CID15989566
Molecular FormulaC20H16ClN3O2S
Molecular Weight397.89 g/mol
Exact Mass397.07
IUPAC NameN-(2-chloro-4-methylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)c(Cl)c1
InChIInChI=1S/C20H16ClN3O2S/c1-13-7-9-17(16(21)11-13)24-27(25,26)15-8-10-18-19(12-15)23-20(22-18)14-5-3-2-4-6-14/h2-12,24H,1H3,(H,22,23)
InChIKeyYVBBPHXIZHSWIU-UHFFFAOYSA-N
XLogP4.99
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-chloro-4-methylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide 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 N-(2-chloro-4-methylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (CID 15989566) is N-(2-chloro-4-methylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is YVBBPHXIZHSWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S/c1-13-7-9-17(16(21)11-13)24-27(25,26)15-8-10-18-19(12-15)23-20(22-18)14-5-3-2-4-6-14/h2-12,24H,1H3,(H,22,23).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
N-(2-chloro-4-methylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 397.89 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 15989566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).