N-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide

C15H13N3O3S — CID 164745289

IUPACN-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2ccc3c(c2)=NC(=O)N=3)c1
InChIInChI=1S/C15H13N3O3S/c1-2-10-4-3-5-11(8-10)18-22(20,21)12-6-7-13-14(9-12)17-15(19)16-13/h3-9,18H,2H2,1H3
InChIKeyZDDPFFSIZDMSME-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.42
Rot. Bonds4

About N-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide

N-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide (PubChem CID 164745289) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide
PubChem CID164745289
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2ccc3c(c2)=NC(=O)N=3)c1
InChIInChI=1S/C15H13N3O3S/c1-2-10-4-3-5-11(8-10)18-22(20,21)12-6-7-13-14(9-12)17-15(19)16-13/h3-9,18H,2H2,1H3
InChIKeyZDDPFFSIZDMSME-UHFFFAOYSA-N
XLogP1.42
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60641368
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4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide
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N-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281899
N-(3-ethylphenyl)pyridine-2-sulfonamide
CID 67565790
2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide
CID 24621325
4-[(3-ethylphenyl)sulfamoyl]furan-2-carboxamide
CID 20858699
N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
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N-(3-propylphenyl)benzenesulfonamide
CID 71064838
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
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N-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide
CID 124587750

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide (CID 164745289) is N-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide is CCc1cccc(NS(=O)(=O)c2ccc3c(c2)=NC(=O)N=3)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is ZDDPFFSIZDMSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-2-10-4-3-5-11(8-10)18-22(20,21)12-6-7-13-14(9-12)17-15(19)16-13/h3-9,18H,2H2,1H3.
What are the key properties of N-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide?
N-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 315.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 164745289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).