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

C17H19N3O5S — CID 6493637

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C17H19N3O5S/c1-19-13-7-5-11(9-14(13)20(2)17(19)21)18-26(22,23)12-6-8-15(24-3)16(10-12)25-4/h5-10,18H,1-4H3
InChIKeyZGOCDYFSHNQORM-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.70
Rot. Bonds5

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 6493637) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
PubChem CID6493637
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C17H19N3O5S/c1-19-13-7-5-11(9-14(13)20(2)17(19)21)18-26(22,23)12-6-8-15(24-3)16(10-12)25-4/h5-10,18H,1-4H3
InChIKeyZGOCDYFSHNQORM-UHFFFAOYSA-N
XLogP1.70
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-Dimethoxy-N-[6-(4-Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl]benzenesulfonamide
CID 50796983
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
CID 1250430
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 6494053
3-(3,4-Dimethoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10714544
2,5-dimethoxy-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 15990073
(2-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363410
N-(4-Methoxyphenyl)-1,3-dimethyl-2-oxo-1,3-benzodiazole-5-sulfonamide
CID 1093431
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-ethoxybenzenesulfonamide
CID 6493142
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide
CID 6501570
5-chloro-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-methoxybenzenesulfonamide
CID 15990071
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 15990089
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide
CID 15990206

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide (CID 6493637) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1OC.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is ZGOCDYFSHNQORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-19-13-7-5-11(9-14(13)20(2)17(19)21)18-26(22,23)12-6-8-15(24-3)16(10-12)25-4/h5-10,18H,1-4H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 377.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 6493637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).