4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

C14H13N3O3S — CID 956344

IUPAC4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C14H13N3O3S/c1-9-2-5-11(6-3-9)21(19,20)17-10-4-7-12-13(8-10)16-14(18)15-12/h2-8,17H,1H3,(H2,15,16,18)
InChIKeyXSJUVPYFNUOPLC-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.97
Rot. Bonds3

About 4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 956344) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
PubChem CID956344
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C14H13N3O3S/c1-9-2-5-11(6-3-9)21(19,20)17-10-4-7-12-13(8-10)16-14(18)15-12/h2-8,17H,1H3,(H2,15,16,18)
InChIKeyXSJUVPYFNUOPLC-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 4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (CID 956344) is 4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is XSJUVPYFNUOPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-9-2-5-11(6-3-9)21(19,20)17-10-4-7-12-13(8-10)16-14(18)15-12/h2-8,17H,1H3,(H2,15,16,18).
What are the key properties of 4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide 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 4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 956344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).