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

C16H17N3O4S — CID 1093433

IUPACN-(2-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C16H17N3O4S/c1-18-13-9-8-11(10-14(13)19(2)16(18)20)24(21,22)17-12-6-4-5-7-15(12)23-3/h4-10,17H,1-3H3
InChIKeyYKQIFBKOICWIQD-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.69
Rot. Bonds4

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

N-(2-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 1093433) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID1093433
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-(2-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C16H17N3O4S/c1-18-13-9-8-11(10-14(13)19(2)16(18)20)24(21,22)17-12-6-4-5-7-15(12)23-3/h4-10,17H,1-3H3
InChIKeyYKQIFBKOICWIQD-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

3-Methyl-2-oxo-N-phenyl-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 564213
3-amino-N-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 3674642
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
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
3-(2-Methoxyphenyl)-1-(4-sulfamoylphenyl)urea
CID 307522
(4-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53353818
N-(2-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372216
N-(4-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372219
N-(4-butoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372868
N-(3-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 56839168

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 1093433) is N-(2-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is COc1ccccc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-(2-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is YKQIFBKOICWIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-18-13-9-8-11(10-14(13)19(2)16(18)20)24(21,22)17-12-6-4-5-7-15(12)23-3/h4-10,17H,1-3H3.
What are the key properties of N-(2-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-(2-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-(2-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 1093433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).