N-(1-benzylbenzimidazol-5-yl)-2-methylbenzenesulfonamide

C21H19N3O2S — CID 44567333

IUPACN-(1-benzylbenzimidazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2c(c1)ncn2Cc1ccccc1
InChIInChI=1S/C21H19N3O2S/c1-16-7-5-6-10-21(16)27(25,26)23-18-11-12-20-19(13-18)22-15-24(20)14-17-8-3-2-4-9-17/h2-13,15,23H,14H2,1H3
InChIKeyHHTZXLHOANPOOG-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.19
Rot. Bonds5

About N-(1-benzylbenzimidazol-5-yl)-2-methylbenzenesulfonamide

N-(1-benzylbenzimidazol-5-yl)-2-methylbenzenesulfonamide (PubChem CID 44567333) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(1-benzylbenzimidazol-5-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylbenzimidazol-5-yl)-2-methylbenzenesulfonamide
PubChem CID44567333
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-(1-benzylbenzimidazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2c(c1)ncn2Cc1ccccc1
InChIInChI=1S/C21H19N3O2S/c1-16-7-5-6-10-21(16)27(25,26)23-18-11-12-20-19(13-18)22-15-24(20)14-17-8-3-2-4-9-17/h2-13,15,23H,14H2,1H3
InChIKeyHHTZXLHOANPOOG-UHFFFAOYSA-N
XLogP4.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylbenzimidazol-5-yl)-2-methylbenzenesulfonamide 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-(1-benzylbenzimidazol-5-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(1-benzylbenzimidazol-5-yl)-2-methylbenzenesulfonamide (CID 44567333) is N-(1-benzylbenzimidazol-5-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzylbenzimidazol-5-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(1-benzylbenzimidazol-5-yl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)ncn2Cc1ccccc1.
What is the InChIKey of N-(1-benzylbenzimidazol-5-yl)-2-methylbenzenesulfonamide?
The InChIKey is HHTZXLHOANPOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-16-7-5-6-10-21(16)27(25,26)23-18-11-12-20-19(13-18)22-15-24(20)14-17-8-3-2-4-9-17/h2-13,15,23H,14H2,1H3.
What are the key properties of N-(1-benzylbenzimidazol-5-yl)-2-methylbenzenesulfonamide?
N-(1-benzylbenzimidazol-5-yl)-2-methylbenzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylbenzimidazol-5-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 44567333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).