4-methylbenzenesulfonamide

C7H9NO2S — CID 6269

IUPAC4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKeyLMYRWZFENFIFIT-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.64
Rot. Bonds1

About 4-methylbenzenesulfonamide

4-methylbenzenesulfonamide (PubChem CID 6269) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-methylbenzenesulfonamide
PubChem CID6269
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKeyLMYRWZFENFIFIT-UHFFFAOYSA-N
XLogP0.64
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-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 4-methylbenzenesulfonamide?
The IUPAC name of 4-methylbenzenesulfonamide (CID 6269) is 4-methylbenzenesulfonamide.
What is the SMILES notation for 4-methylbenzenesulfonamide?
The canonical SMILES for 4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-methylbenzenesulfonamide?
The InChIKey is LMYRWZFENFIFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10).
What are the key properties of 4-methylbenzenesulfonamide?
4-methylbenzenesulfonamide has a molecular weight of 171.22 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzenesulfonamide is sourced from PubChem (CID 6269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).