N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C15H15N3O3S — CID 889455

IUPACN-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C15H15N3O3S/c1-2-10-3-5-11(6-4-10)18-22(20,21)12-7-8-13-14(9-12)17-15(19)16-13/h3-9,18H,2H2,1H3,(H2,16,17,19)
InChIKeyPDGHTAFQNDJTIA-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.22
Rot. Bonds4

About N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 889455) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID889455
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C15H15N3O3S/c1-2-10-3-5-11(6-4-10)18-22(20,21)12-7-8-13-14(9-12)17-15(19)16-13/h3-9,18H,2H2,1H3,(H2,16,17,19)
InChIKeyPDGHTAFQNDJTIA-UHFFFAOYSA-N
XLogP2.22
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide 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-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 889455) is N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is CCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is PDGHTAFQNDJTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-2-10-3-5-11(6-4-10)18-22(20,21)12-7-8-13-14(9-12)17-15(19)16-13/h3-9,18H,2H2,1H3,(H2,16,17,19).
What are the key properties of N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 889455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).