N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide

C10H13N3O2S — CID 64584356

IUPACN-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C10H13N3O2S/c1-3-16(14,15)13-8-4-5-9-10(6-8)12-7(2)11-9/h4-6,13H,3H2,1-2H3,(H,11,12)
InChIKeyMELVCAYGNGCXSZ-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.63
Rot. Bonds3

About N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide

N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide (PubChem CID 64584356) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide
PubChem CID64584356
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC NameN-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C10H13N3O2S/c1-3-16(14,15)13-8-4-5-9-10(6-8)12-7(2)11-9/h4-6,13H,3H2,1-2H3,(H,11,12)
InChIKeyMELVCAYGNGCXSZ-UHFFFAOYSA-N
XLogP1.63
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide 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

1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide
CID 83084672
3-chloro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propane-1-sulfonamide
CID 79586209
2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 142887451
N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 61274454
2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide
CID 61053137
2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 61215553
2-methyl-N-(1-methylsulfonylpropan-2-yl)-3H-benzimidazol-5-amine
CID 64630141
4-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61274456
1-methyl-2-(2-methyl-3H-benzimidazol-5-yl)hydrazine
CID 170206143
N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110724306
(2S)-2-amino-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79024217
N-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide
CID 110779021

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide?
The IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide (CID 64584356) is N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide.
What is the SMILES notation for N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide?
The canonical SMILES for N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide?
The InChIKey is MELVCAYGNGCXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-3-16(14,15)13-8-4-5-9-10(6-8)12-7(2)11-9/h4-6,13H,3H2,1-2H3,(H,11,12).
What are the key properties of N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide?
N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide has a molecular weight of 239.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide is sourced from PubChem (CID 64584356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).