1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide

C12H16N4O2S — CID 55068374

IUPAC1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H16N4O2S/c1-13-7-10-5-3-4-6-11(10)15-19(17,18)12-8-16(2)9-14-12/h3-6,8-9,13,15H,7H2,1-2H3
InChIKeyHYZGVNAACPRLFE-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.94
Rot. Bonds5

About 1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide

1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide (PubChem CID 55068374) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide
PubChem CID55068374
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H16N4O2S/c1-13-7-10-5-3-4-6-11(10)15-19(17,18)12-8-16(2)9-14-12/h3-6,8-9,13,15H,7H2,1-2H3
InChIKeyHYZGVNAACPRLFE-UHFFFAOYSA-N
XLogP0.94
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide (CID 55068374) is 1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide is CNCc1ccccc1NS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of 1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide?
The InChIKey is HYZGVNAACPRLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-13-7-10-5-3-4-6-11(10)15-19(17,18)12-8-16(2)9-14-12/h3-6,8-9,13,15H,7H2,1-2H3.
What are the key properties of 1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide?
1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 55068374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).