N-[(2-chlorophenyl)methyl]-2-phenyl-3H-benzimidazole-5-sulfonamide

C20H16ClN3O2S — CID 4662105

IUPACN-[(2-chlorophenyl)methyl]-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C20H16ClN3O2S/c21-17-9-5-4-8-15(17)13-22-27(25,26)16-10-11-18-19(12-16)24-20(23-18)14-6-2-1-3-7-14/h1-12,22H,13H2,(H,23,24)
InChIKeyWZJOJFDQGBQDMF-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.36
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-phenyl-3H-benzimidazole-5-sulfonamide

N-[(2-chlorophenyl)methyl]-2-phenyl-3H-benzimidazole-5-sulfonamide (PubChem CID 4662105) has the molecular formula C20H16ClN3O2S and a molecular weight of 397.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-phenyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-phenyl-3H-benzimidazole-5-sulfonamide
PubChem CID4662105
Molecular FormulaC20H16ClN3O2S
Molecular Weight397.89 g/mol
Exact Mass397.07
IUPAC NameN-[(2-chlorophenyl)methyl]-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C20H16ClN3O2S/c21-17-9-5-4-8-15(17)13-22-27(25,26)16-10-11-18-19(12-16)24-20(23-18)14-6-2-1-3-7-14/h1-12,22H,13H2,(H,23,24)
InChIKeyWZJOJFDQGBQDMF-UHFFFAOYSA-N
XLogP4.36
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-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

Related Compounds

2-Phenylbenzimidazole-5-Sulfonic Acid
CID 33919
Chlorfenazole
CID 77123
2-(chloromethyl)-N,N-diethyl-1H-1,3-benzodiazole-6-sulfonamide
CID 2393609
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 780101
Ensulizole sodium
CID 23663543
5-chloro-6-[(4-chlorophenyl)methylsulfinyl]-2-cyclohexyl-1H-benzimidazole
CID 44449472
2-(4-chloro-3-phenylphenyl)-6-ethylsulfonyl-1H-benzimidazole
CID 70695120
Benzenesulfonamide, 4-[1-(4-chlorophenyl)-1H-benzimidazol-2-yl]-
CID 11625155
2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole
CID 2350190
2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide
CID 15989568
2-Biphenyl-4-yl-6-(methylsulfonyl)-1H-benzimidazole
CID 44464942
2-(3'-Chlorobiphenyl-4-yl)-6-(methylsulfonyl)-1H-benzimidazole
CID 44465469

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-phenyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-phenyl-3H-benzimidazole-5-sulfonamide (CID 4662105) is N-[(2-chlorophenyl)methyl]-2-phenyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-phenyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-phenyl-3H-benzimidazole-5-sulfonamide is O=S(=O)(NCc1ccccc1Cl)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-phenyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is WZJOJFDQGBQDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S/c21-17-9-5-4-8-15(17)13-22-27(25,26)16-10-11-18-19(12-16)24-20(23-18)14-6-2-1-3-7-14/h1-12,22H,13H2,(H,23,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-phenyl-3H-benzimidazole-5-sulfonamide?
N-[(2-chlorophenyl)methyl]-2-phenyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 397.89 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-phenyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 4662105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).