N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide

C21H19N3O2S — CID 171418978

IUPACN-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCn2cnc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C21H19N3O2S/c25-27(26,19-6-2-1-3-7-19)23-18-12-10-17(11-13-18)14-15-24-16-22-20-8-4-5-9-21(20)24/h1-13,16,23H,14-15H2
InChIKeyVHGNZKFVFSTQNT-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.08
Rot. Bonds6

About N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide

N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 171418978) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID171418978
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCn2cnc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C21H19N3O2S/c25-27(26,19-6-2-1-3-7-19)23-18-12-10-17(11-13-18)14-15-24-16-22-20-8-4-5-9-21(20)24/h1-13,16,23H,14-15H2
InChIKeyVHGNZKFVFSTQNT-UHFFFAOYSA-N
XLogP4.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]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-phenylethyl)benzimidazole;hydrochloride
CID 54604941
N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide
CID 17139121
4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide
CID 15943384
N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 55407936
N-[4-[(2R,4R,5S,6S)-4-(benzimidazol-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]benzenesulfonamide
CID 6705440
N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 1373136
1-(18-phenyloctadecyl)benzimidazole
CID 67925718
3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 25390413
N-(benzimidazol-1-yl)benzenesulfonamide
CID 118414889
2-(benzimidazol-1-yl)ethanesulfonyl fluoride
CID 4107358
N-[4-(3-oxobutyl)phenyl]benzenesulfonamide
CID 67020204
N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 166203692

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide (CID 171418978) is N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(CCn2cnc3ccccc32)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is VHGNZKFVFSTQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c25-27(26,19-6-2-1-3-7-19)23-18-12-10-17(11-13-18)14-15-24-16-22-20-8-4-5-9-21(20)24/h1-13,16,23H,14-15H2.
What are the key properties of N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide?
N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 171418978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).