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

C13H10ClN3O3S — CID 4885249

IUPAC4-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2[nH]1
InChIInChI=1S/C13H10ClN3O3S/c14-8-1-4-10(5-2-8)21(19,20)17-9-3-6-11-12(7-9)16-13(18)15-11/h1-7,17H,(H2,15,16,18)
InChIKeyWTFOEHIHAIWENO-UHFFFAOYSA-N
MW323.76 g/mol
LogP2.31
Rot. Bonds3

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

4-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 4885249) has the molecular formula C13H10ClN3O3S and a molecular weight of 323.76 g/mol. Its IUPAC name is 4-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
PubChem CID4885249
Molecular FormulaC13H10ClN3O3S
Molecular Weight323.76 g/mol
Exact Mass323.01
IUPAC Name4-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2[nH]1
InChIInChI=1S/C13H10ClN3O3S/c14-8-1-4-10(5-2-8)21(19,20)17-9-3-6-11-12(7-9)16-13(18)15-11/h1-7,17H,(H2,15,16,18)
InChIKeyWTFOEHIHAIWENO-UHFFFAOYSA-N
XLogP2.31
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (CID 4885249) is 4-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is O=c1[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2[nH]1.
What is the InChIKey of 4-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is WTFOEHIHAIWENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3S/c14-8-1-4-10(5-2-8)21(19,20)17-9-3-6-11-12(7-9)16-13(18)15-11/h1-7,17H,(H2,15,16,18).
What are the key properties of 4-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
4-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 323.76 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 4885249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).