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

C12H16N4O2S — CID 103287604

IUPAC5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1-n1cnc(C)c1C
InChIInChI=1S/C12H16N4O2S/c1-8-9(2)16(7-15-8)11-5-4-10(13)6-12(11)19(17,18)14-3/h4-7,14H,13H2,1-3H3
InChIKeyLZAGWBYHNZNPCS-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.98
Rot. Bonds3

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

5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide (PubChem CID 103287604) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide
PubChem CID103287604
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1-n1cnc(C)c1C
InChIInChI=1S/C12H16N4O2S/c1-8-9(2)16(7-15-8)11-5-4-10(13)6-12(11)19(17,18)14-3/h4-7,14H,13H2,1-3H3
InChIKeyLZAGWBYHNZNPCS-UHFFFAOYSA-N
XLogP0.98
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide (CID 103287604) is 5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1-n1cnc(C)c1C.
What is the InChIKey of 5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is LZAGWBYHNZNPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8-9(2)16(7-15-8)11-5-4-10(13)6-12(11)19(17,18)14-3/h4-7,14H,13H2,1-3H3.
What are the key properties of 5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide?
5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103287604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).