5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide

C12H10N6O2S — CID 103287638

IUPAC5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1-n1cnc(C#N)c1C#N
InChIInChI=1S/C12H10N6O2S/c1-16-21(19,20)12-4-8(15)2-3-10(12)18-7-17-9(5-13)11(18)6-14/h2-4,7,16H,15H2,1H3
InChIKeySDZDGWUQRDBHDY-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.11
Rot. Bonds3

About 5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide

5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide (PubChem CID 103287638) has the molecular formula C12H10N6O2S and a molecular weight of 302.32 g/mol. Its IUPAC name is 5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide
PubChem CID103287638
Molecular FormulaC12H10N6O2S
Molecular Weight302.32 g/mol
Exact Mass302.06
IUPAC Name5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1-n1cnc(C#N)c1C#N
InChIInChI=1S/C12H10N6O2S/c1-16-21(19,20)12-4-8(15)2-3-10(12)18-7-17-9(5-13)11(18)6-14/h2-4,7,16H,15H2,1H3
InChIKeySDZDGWUQRDBHDY-UHFFFAOYSA-N
XLogP0.11
TPSA137.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-amino-2-(4,5-dicyanoimidazol-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

5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide
CID 103287604
3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide
CID 115944543
4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide
CID 115944574
1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile
CID 112595275
5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide
CID 103286986
5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylbenzenesulfonamide
CID 103287594
2-amino-3-(4,5-dicyanoimidazol-1-yl)benzoic acid
CID 112595307
1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile
CID 106948556
5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103286576
5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103287216
1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile
CID 146004115
5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 103287518

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide (CID 103287638) is 5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1-n1cnc(C#N)c1C#N.
What is the InChIKey of 5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is SDZDGWUQRDBHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2S/c1-16-21(19,20)12-4-8(15)2-3-10(12)18-7-17-9(5-13)11(18)6-14/h2-4,7,16H,15H2,1H3.
What are the key properties of 5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide?
5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 302.32 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103287638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).