2,3-dimethylbenzenesulfonamide

C8H11NO2S — CID 18667731

IUPAC2,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(N)(=O)=O)c1C
InChIInChI=1S/C8H11NO2S/c1-6-4-3-5-8(7(6)2)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyLFEXGBPVZBXATF-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.95
Rot. Bonds1

About 2,3-dimethylbenzenesulfonamide

2,3-dimethylbenzenesulfonamide (PubChem CID 18667731) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethylbenzenesulfonamide
PubChem CID18667731
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(N)(=O)=O)c1C
InChIInChI=1S/C8H11NO2S/c1-6-4-3-5-8(7(6)2)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyLFEXGBPVZBXATF-UHFFFAOYSA-N
XLogP0.95
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-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 2,3-dimethylbenzenesulfonamide?
The IUPAC name of 2,3-dimethylbenzenesulfonamide (CID 18667731) is 2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 2,3-dimethylbenzenesulfonamide is Cc1cccc(S(N)(=O)=O)c1C.
What is the InChIKey of 2,3-dimethylbenzenesulfonamide?
The InChIKey is LFEXGBPVZBXATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-6-4-3-5-8(7(6)2)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11).
What are the key properties of 2,3-dimethylbenzenesulfonamide?
2,3-dimethylbenzenesulfonamide has a molecular weight of 185.25 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 18667731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).