N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

C17H19N3O4S — CID 1242527

IUPACN-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C17H19N3O4S/c1-11-5-8-16(24-4)13(9-11)18-25(22,23)12-6-7-14-15(10-12)20(3)17(21)19(14)2/h5-10,18H,1-4H3
InChIKeyHCDZATWQVSINID-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.99
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 1242527) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID1242527
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C17H19N3O4S/c1-11-5-8-16(24-4)13(9-11)18-25(22,23)12-6-7-14-15(10-12)20(3)17(21)19(14)2/h5-10,18H,1-4H3
InChIKeyHCDZATWQVSINID-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

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Related Compounds

N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 6494053
N-(2-Ethoxyphenyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 7586546
1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2229203
N-(3-ethylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 3245899
N-(2-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372216
1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonic acid (4-methoxy-phenyl)-amide
CID 1093431
1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonic acid (2-methoxy-phenyl)-amide
CID 1093433
N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)sulfonyl]-N-(4-methoxyphenyl)-2-methylpropanamide
CID 1242553
N-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 5307870
N-(4-ethoxyphenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 7454652
N-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 970419
1-[4-(Ethylsulfamoyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 1295672

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 1242527) is N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is HCDZATWQVSINID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-11-5-8-16(24-4)13(9-11)18-25(22,23)12-6-7-14-15(10-12)20(3)17(21)19(14)2/h5-10,18H,1-4H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide 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-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 1242527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).