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

C14H13N3O3S — CID 7454312

IUPACN-(4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C14H13N3O3S/c1-9-2-4-10(5-3-9)17-21(19,20)11-6-7-12-13(8-11)16-14(18)15-12/h2-8,17H,1H3,(H2,15,16,18)
InChIKeyUNCDGUPIRXLWHL-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.97
Rot. Bonds3

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

N-(4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 7454312) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID7454312
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-(4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C14H13N3O3S/c1-9-2-4-10(5-3-9)17-21(19,20)11-6-7-12-13(8-11)16-14(18)15-12/h2-8,17H,1H3,(H2,15,16,18)
InChIKeyUNCDGUPIRXLWHL-UHFFFAOYSA-N
XLogP1.97
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 7454312) is N-(4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is UNCDGUPIRXLWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-9-2-4-10(5-3-9)17-21(19,20)11-6-7-12-13(8-11)16-14(18)15-12/h2-8,17H,1H3,(H2,15,16,18).
What are the key properties of N-(4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 303.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 7454312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).