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

C17H19N3O4S — CID 7454652

IUPACN-(4-ethoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C17H19N3O4S/c1-4-24-13-7-5-12(6-8-13)18-25(22,23)14-9-10-15-16(11-14)20(3)17(21)19(15)2/h5-11,18H,4H2,1-3H3
InChIKeyAUTYRNXNXFMLRO-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.08
Rot. Bonds5

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

N-(4-ethoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 7454652) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID7454652
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(4-ethoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C17H19N3O4S/c1-4-24-13-7-5-12(6-8-13)18-25(22,23)14-9-10-15-16(11-14)20(3)17(21)19(15)2/h5-11,18H,4H2,1-3H3
InChIKeyAUTYRNXNXFMLRO-UHFFFAOYSA-N
XLogP2.08
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.08
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-morpholinobenzenesulfonamide
CID 3292313
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
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
(2-Ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363411
(4-Ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363856
(4-Propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363857
(4-Butoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363858

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 7454652) is N-(4-ethoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is AUTYRNXNXFMLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-4-24-13-7-5-12(6-8-13)18-25(22,23)14-9-10-15-16(11-14)20(3)17(21)19(15)2/h5-11,18H,4H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-(4-ethoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 361.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 7454652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).