4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide

C11H11N5O2S — CID 82901603

IUPAC4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(-n2ccnc2C#N)c1
InChIInChI=1S/C11H11N5O2S/c1-14-19(17,18)8-2-3-9(13)10(6-8)16-5-4-15-11(16)7-12/h2-6,14H,13H2,1H3
InChIKeyRXVQHEUMCCCFQG-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.23
Rot. Bonds3

About 4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide

4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide (PubChem CID 82901603) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide
PubChem CID82901603
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Name4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(-n2ccnc2C#N)c1
InChIInChI=1S/C11H11N5O2S/c1-14-19(17,18)8-2-3-9(13)10(6-8)16-5-4-15-11(16)7-12/h2-6,14H,13H2,1H3
InChIKeyRXVQHEUMCCCFQG-UHFFFAOYSA-N
XLogP0.23
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide 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

4-amino-3-(2-cyanopyrrol-1-yl)-N-ethylbenzenesulfonamide
CID 114649918
4-amino-3-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 82899212
4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide
CID 82899314
1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile
CID 106748221
4-amino-3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylbenzenesulfonamide
CID 82903043
4-amino-N-methyl-3-(2-methylpyrrolidin-1-yl)benzenesulfonamide
CID 82899494
3-amino-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 63293527
4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide
CID 82898767
1-(3-chlorophenyl)imidazole-2-carbonitrile
CID 84671921
4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide
CID 82900892
1-(2-amino-3,5-difluorophenyl)imidazole-2-carbonitrile
CID 115507228
4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzenesulfonamide
CID 82902449

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide (CID 82901603) is 4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(-n2ccnc2C#N)c1.
What is the InChIKey of 4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is RXVQHEUMCCCFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c1-14-19(17,18)8-2-3-9(13)10(6-8)16-5-4-15-11(16)7-12/h2-6,14H,13H2,1H3.
What are the key properties of 4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide?
4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 277.31 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 82901603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).