N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide

C17H19N3O4S — CID 6494053

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1C
InChIInChI=1S/C17H19N3O4S/c1-11-9-13(6-8-16(11)24-4)25(22,23)18-12-5-7-14-15(10-12)20(3)17(21)19(14)2/h5-10,18H,1-4H3
InChIKeyDDTJCMKNJBJTQX-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.99
Rot. Bonds4

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 6494053) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID6494053
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1C
InChIInChI=1S/C17H19N3O4S/c1-11-9-13(6-8-16(11)24-4)25(22,23)18-12-5-7-14-15(10-12)20(3)17(21)19(14)2/h5-10,18H,1-4H3
InChIKeyDDTJCMKNJBJTQX-UHFFFAOYSA-N
XLogP1.99
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide 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 N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide (CID 6494053) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1C.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is DDTJCMKNJBJTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-11-9-13(6-8-16(11)24-4)25(22,23)18-12-5-7-14-15(10-12)20(3)17(21)19(14)2/h5-10,18H,1-4H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 6494053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).