N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C11H15N3O3S — CID 787615

IUPACN,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H15N3O3S/c1-3-14(4-2)18(16,17)8-5-6-9-10(7-8)13-11(15)12-9/h5-7H,3-4H2,1-2H3,(H2,12,13,15)
InChIKeyKUSAFIHTRLXIST-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.89
Rot. Bonds4

About N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 787615) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID787615
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H15N3O3S/c1-3-14(4-2)18(16,17)8-5-6-9-10(7-8)13-11(15)12-9/h5-7H,3-4H2,1-2H3,(H2,12,13,15)
InChIKeyKUSAFIHTRLXIST-UHFFFAOYSA-N
XLogP0.89
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mls003106479
CID 3370705
N-(3-methoxypropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 16193893
3-Methyl-1-(4-sulfamoylphenyl)urea
CID 280908
2,3-Dihydro-2-oxo-1-propyl-1H-benzimidazole-5-sulfonamide
CID 28819101
3-Amino-n-methyl-4-(methylamino)benzenesulfonamide
CID 274142
(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonylamino)-acetic acid
CID 3158007
1,3-dimethyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 974153
1,1-Dimethyl-3-(4-sulfamoylphenyl)urea
CID 768103
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 1094882
N-(4-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372090
4-(2-oxoimidazolidin-1-yl)-N-phenylbenzenesulfonamide
CID 53372354
N-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 56931425

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 787615) is N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is KUSAFIHTRLXIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-3-14(4-2)18(16,17)8-5-6-9-10(7-8)13-11(15)12-9/h5-7H,3-4H2,1-2H3,(H2,12,13,15).
What are the key properties of N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 787615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).