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

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Related Compounds

2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814330
N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 166521432
N-[2-(3-aminoprop-1-ynyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 62375470
1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
CID 46897915
1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide
CID 146090333
N-[2-[[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide
CID 67675305
2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606132
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606048
N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
CID 71927149
N-(2-amino-4-bromophenyl)-1-methylimidazole-4-sulfonamide
CID 62374944
N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 55068186
N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide
CID 62373444

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).