4-formyl-N-methylbenzenesulfonamide

C8H9NO3S — CID 14327177

IUPAC4-formyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C=O)cc1
InChIInChI=1S/C8H9NO3S/c1-9-13(11,12)8-4-2-7(6-10)3-5-8/h2-6,9H,1H3
InChIKeyOPTKITMTUSAJRP-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.41
Rot. Bonds3

About 4-formyl-N-methylbenzenesulfonamide

4-formyl-N-methylbenzenesulfonamide (PubChem CID 14327177) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-formyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-formyl-N-methylbenzenesulfonamide
PubChem CID14327177
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name4-formyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C=O)cc1
InChIInChI=1S/C8H9NO3S/c1-9-13(11,12)8-4-2-7(6-10)3-5-8/h2-6,9H,1H3
InChIKeyOPTKITMTUSAJRP-UHFFFAOYSA-N
XLogP0.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-formyl-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 4-formyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-formyl-N-methylbenzenesulfonamide (CID 14327177) is 4-formyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-formyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-formyl-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C=O)cc1.
What is the InChIKey of 4-formyl-N-methylbenzenesulfonamide?
The InChIKey is OPTKITMTUSAJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-9-13(11,12)8-4-2-7(6-10)3-5-8/h2-6,9H,1H3.
What are the key properties of 4-formyl-N-methylbenzenesulfonamide?
4-formyl-N-methylbenzenesulfonamide has a molecular weight of 199.23 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 14327177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).