N-[1-(2-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide

C20H17N3O3S — CID 650152

IUPACN-[1-(2-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCOc1ccccc1-n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C20H17N3O3S/c1-26-20-10-6-5-9-19(20)23-14-21-17-13-15(11-12-18(17)23)22-27(24,25)16-7-3-2-4-8-16/h2-14,22H,1H3
InChIKeyMAXKXFCAXVTFOH-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.83
Rot. Bonds5

About N-[1-(2-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide

N-[1-(2-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide (PubChem CID 650152) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide
PubChem CID650152
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-[1-(2-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCOc1ccccc1-n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C20H17N3O3S/c1-26-20-10-6-5-9-19(20)23-14-21-17-13-15(11-12-18(17)23)22-27(24,25)16-7-3-2-4-8-16/h2-14,22H,1H3
InChIKeyMAXKXFCAXVTFOH-UHFFFAOYSA-N
XLogP3.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide 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

1-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzimidazol-5-amine
CID 3713839
1-(4-Ethoxyphenyl)sulfonylbenzimidazole
CID 846993
1-(1,2-Dimethylbenzimidazol-5-yl)-3-(2-methoxyphenyl)urea
CID 893836
1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole
CID 1583575
1-(4-Methoxyphenyl)sulfonylbenzimidazole;hydrochloride
CID 23724233
1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine
CID 949169
1-(4-Methoxy-phenyl)-1H-benzoimidazol-5-ylamine
CID 783122
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 24748635
1-(2-Methoxyphenyl)-1H-benzoimidazole
CID 5328427
N-[1-(2-methoxyphenyl)-1H-benzimidazol-5-yl]propanamide
CID 665732
N-[1-(4-methoxyphenyl)-1H-benzimidazol-5-yl]propanamide
CID 777770
N-[1-(4-Methoxy-phenyl)-1H-benzoimidazol-5-yl]-benzenesulfonamide
CID 1077757

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[1-(2-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide (CID 650152) is N-[1-(2-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide is COc1ccccc1-n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[1-(2-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is MAXKXFCAXVTFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-26-20-10-6-5-9-19(20)23-14-21-17-13-15(11-12-18(17)23)22-27(24,25)16-7-3-2-4-8-16/h2-14,22H,1H3.
What are the key properties of N-[1-(2-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide?
N-[1-(2-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 650152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).