N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide

C17H19N3O3S — CID 2972523

IUPACN-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCCn1c(=O)n(CC)c2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C17H19N3O3S/c1-3-19-15-11-10-13(12-16(15)20(4-2)17(19)21)18-24(22,23)14-8-6-5-7-9-14/h5-12,18H,3-4H2,1-2H3
InChIKeyLFTXBSJVXCGGGX-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.64
Rot. Bonds5

About N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide

N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 2972523) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
PubChem CID2972523
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCCn1c(=O)n(CC)c2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C17H19N3O3S/c1-3-19-15-11-10-13(12-16(15)20(4-2)17(19)21)18-24(22,23)14-8-6-5-7-9-14/h5-12,18H,3-4H2,1-2H3
InChIKeyLFTXBSJVXCGGGX-UHFFFAOYSA-N
XLogP2.64
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 1253361
2,3-Dihydro-2-oxo-1-propyl-1H-benzimidazole-5-sulfonamide
CID 28819101
N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
CID 2979626
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(phenylsulfanyl)acetamide
CID 6461251
1,3-dimethyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 974153
5-Amino-1,3-diethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride
CID 2983395
4-Ethyl-N-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL)benzene-1-sulfonamide
CID 20962015
4-(2-oxoimidazolidin-1-yl)-N-phenylbenzenesulfonamide
CID 53372354
1,3-Dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one
CID 751863
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-fluorobenzenesulfonamide
CID 1249871
4-tert-butyl-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 1251510
N-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]phenyl]acetamide
CID 2103499

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide (CID 2972523) is N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide is CCn1c(=O)n(CC)c2cc(NS(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is LFTXBSJVXCGGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-3-19-15-11-10-13(12-16(15)20(4-2)17(19)21)18-24(22,23)14-8-6-5-7-9-14/h5-12,18H,3-4H2,1-2H3.
What are the key properties of N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 2972523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).