4-chloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide

C16H16ClN3O4S — CID 22433923

IUPAC4-chloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1ccc(Cl)cc1)n(C)c(=O)n2C
InChIInChI=1S/C16H16ClN3O4S/c1-19-13-8-12(15(24-3)9-14(13)20(2)16(19)21)18-25(22,23)11-6-4-10(17)5-7-11/h4-9,18H,1-3H3
InChIKeyQZYKIBMKWBKCBS-UHFFFAOYSA-N
MW381.84 g/mol
LogP2.34
Rot. Bonds4

About 4-chloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide

4-chloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 22433923) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is 4-chloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
PubChem CID22433923
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC Name4-chloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1ccc(Cl)cc1)n(C)c(=O)n2C
InChIInChI=1S/C16H16ClN3O4S/c1-19-13-8-12(15(24-3)9-14(13)20(2)16(19)21)18-25(22,23)11-6-4-10(17)5-7-11/h4-9,18H,1-3H3
InChIKeyQZYKIBMKWBKCBS-UHFFFAOYSA-N
XLogP2.34
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide (CID 22433923) is 4-chloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide is COc1cc2c(cc1NS(=O)(=O)c1ccc(Cl)cc1)n(C)c(=O)n2C.
What is the InChIKey of 4-chloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is QZYKIBMKWBKCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c1-19-13-8-12(15(24-3)9-14(13)20(2)16(19)21)18-25(22,23)11-6-4-10(17)5-7-11/h4-9,18H,1-3H3.
What are the key properties of 4-chloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
4-chloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 381.84 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 22433923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).