4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide

C17H19N3O2S — CID 18197789

IUPAC4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C17H19N3O2S/c1-3-13-8-10-14(11-9-13)23(21,22)18-12-17-19-15-6-4-5-7-16(15)20(17)2/h4-11,18H,3,12H2,1-2H3
InChIKeyQFFPBTGHMOCUTD-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.61
Rot. Bonds5

About 4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide

4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 18197789) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID18197789
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C17H19N3O2S/c1-3-13-8-10-14(11-9-13)23(21,22)18-12-17-19-15-6-4-5-7-16(15)20(17)2/h4-11,18H,3,12H2,1-2H3
InChIKeyQFFPBTGHMOCUTD-UHFFFAOYSA-N
XLogP2.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]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

4-N-benzyl-4-N-ethyl-1-N-[(1-methylbenzimidazol-2-yl)methyl]benzene-1,4-disulfonamide
CID 1168577
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 78809678
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809665
2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809672
N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688305
3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 55689465
N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide
CID 74238376
4-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53011009
N-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide
CID 54283070
N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 53022592
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
CID 39969798

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide (CID 18197789) is 4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCc2nc3ccccc3n2C)cc1.
What is the InChIKey of 4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is QFFPBTGHMOCUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-13-8-10-14(11-9-13)23(21,22)18-12-17-19-15-6-4-5-7-16(15)20(17)2/h4-11,18H,3,12H2,1-2H3.
What are the key properties of 4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 18197789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).