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

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Related Compounds

N,1,3,6-tetramethyl-2-oxo-N-phenyl-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 5300967
4-[(3-Toluidinocarbonyl)amino]benzenesulfonamide
CID 310649
N-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2990488
2,3-Dihydro-2-oxo-1-propyl-1H-benzimidazole-5-sulfonamide
CID 28819101
N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 53092093
N-(2,4-dimethylphenyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 3152215
2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 7997824
1,3-dimethyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 974153
4-(3-(4-Isopropylphenyl)ureido)benzenesulfonamide
CID 17268490
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886452
4-(3-(4-Butylphenyl)ureido)benzenesulfonamide
CID 41430216
4-{([(4-Octylphenyl)Amino]Carbonyl)Amino}Benzenesulfonamide
CID 51355749

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).