N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

C16H17N3O4S — CID 1093431

IUPACN-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C16H17N3O4S/c1-18-14-9-8-13(10-15(14)19(2)16(18)20)24(21,22)17-11-4-6-12(23-3)7-5-11/h4-10,17H,1-3H3
InChIKeyXYQRKDDDBCSWIJ-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.69
Rot. Bonds4

About N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 1093431) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID1093431
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C16H17N3O4S/c1-18-14-9-8-13(10-15(14)19(2)16(18)20)24(21,22)17-11-4-6-12(23-3)7-5-11/h4-10,17H,1-3H3
InChIKeyXYQRKDDDBCSWIJ-UHFFFAOYSA-N
XLogP1.69
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-(4-Butoxyphenyl)ureido)benzenesulfonamide
CID 50942416
3-amino-N-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 3674642
3-amino-N-(4-methoxyphenyl)-4-(piperidin-1-yl)benzene-1-sulfonamide
CID 3746718
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
CID 1250430
N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 2957824
2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide
CID 4291895
N-(2-Ethoxyphenyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 7586546
N-(3,4-dimethoxyphenyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 8582580
1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2229203
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 6493637
(4-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53353818
N-(2-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372216

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 1093431) is N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is XYQRKDDDBCSWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-18-14-9-8-13(10-15(14)19(2)16(18)20)24(21,22)17-11-4-6-12(23-3)7-5-11/h4-10,17H,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 1093431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).