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

C17H19N3O4S — CID 6493142

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C17H19N3O4S/c1-4-24-13-6-8-14(9-7-13)25(22,23)18-12-5-10-15-16(11-12)20(3)17(21)19(15)2/h5-11,18H,4H2,1-3H3
InChIKeyJGXYECWYASNHNF-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.08
Rot. Bonds5

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide (PubChem CID 6493142) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide
PubChem CID6493142
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C17H19N3O4S/c1-4-24-13-6-8-14(9-7-13)25(22,23)18-12-5-10-15-16(11-12)20(3)17(21)19(15)2/h5-11,18H,4H2,1-3H3
InChIKeyJGXYECWYASNHNF-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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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide (CID 6493142) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide?
The InChIKey is JGXYECWYASNHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-4-24-13-6-8-14(9-7-13)25(22,23)18-12-5-10-15-16(11-12)20(3)17(21)19(15)2/h5-11,18H,4H2,1-3H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide 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-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 6493142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).