4-amino-N,2-dimethylbenzenesulfonamide

C8H12N2O2S — CID 43257018

IUPAC4-amino-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C8H12N2O2S/c1-6-5-7(9)3-4-8(6)13(11,12)10-2/h3-5,10H,9H2,1-2H3
InChIKeyAGEWPULBQLAYAY-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.49
Rot. Bonds2

About 4-amino-N,2-dimethylbenzenesulfonamide

4-amino-N,2-dimethylbenzenesulfonamide (PubChem CID 43257018) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 4-amino-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,2-dimethylbenzenesulfonamide
PubChem CID43257018
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name4-amino-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C8H12N2O2S/c1-6-5-7(9)3-4-8(6)13(11,12)10-2/h3-5,10H,9H2,1-2H3
InChIKeyAGEWPULBQLAYAY-UHFFFAOYSA-N
XLogP0.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N,2-dimethylbenzenesulfonamide 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 4-amino-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N,2-dimethylbenzenesulfonamide (CID 43257018) is 4-amino-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N,2-dimethylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)cc1C.
What is the InChIKey of 4-amino-N,2-dimethylbenzenesulfonamide?
The InChIKey is AGEWPULBQLAYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6-5-7(9)3-4-8(6)13(11,12)10-2/h3-5,10H,9H2,1-2H3.
What are the key properties of 4-amino-N,2-dimethylbenzenesulfonamide?
4-amino-N,2-dimethylbenzenesulfonamide has a molecular weight of 200.26 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 43257018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).