N-(1H-benzimidazol-2-ylmethyl)-4-methylbenzenesulfonamide

C15H15N3O2S — CID 709075

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H15N3O2S/c1-11-6-8-12(9-7-11)21(19,20)16-10-15-17-13-4-2-3-5-14(13)18-15/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyPWWBXDZPEIYGDP-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.35
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-4-methylbenzenesulfonamide

N-(1H-benzimidazol-2-ylmethyl)-4-methylbenzenesulfonamide (PubChem CID 709075) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-methylbenzenesulfonamide
PubChem CID709075
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H15N3O2S/c1-11-6-8-12(9-7-11)21(19,20)16-10-15-17-13-4-2-3-5-14(13)18-15/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyPWWBXDZPEIYGDP-UHFFFAOYSA-N
XLogP2.35
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-benzimidazol-2-ylmethyl)-4-methylbenzenesulfonamide 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
Bendazol
CID 12132
2-Phenylbenzimidazole
CID 12855
1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine
CID 1088438
Pf-05212377
CID 46203710
2-(4-Fluoro-phenyl)-1H-benzoimidazole
CID 101259
2-(1H-benzimidazol-2-yl)aniline
CID 79869
4-(1H-1,3-benzodiazol-2-yl)aniline
CID 345677
2-(2-Methylphenyl)-1H-benzimidazole
CID 200946
3-(1H-1,3-benzodiazol-2-yl)aniline
CID 348695
N-benzyl-1H-1,3-benzodiazol-2-amine
CID 563446
1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole
CID 804705

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-methylbenzenesulfonamide (CID 709075) is N-(1H-benzimidazol-2-ylmethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-methylbenzenesulfonamide?
The InChIKey is PWWBXDZPEIYGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11-6-8-12(9-7-11)21(19,20)16-10-15-17-13-4-2-3-5-14(13)18-15/h2-9,16H,10H2,1H3,(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-methylbenzenesulfonamide?
N-(1H-benzimidazol-2-ylmethyl)-4-methylbenzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 709075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).