2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide

C13H13NO3S2 — CID 54911187

IUPAC2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Sc1ccc(O)cc1
InChIInChI=1S/C13H13NO3S2/c1-14-19(16,17)13-5-3-2-4-12(13)18-11-8-6-10(15)7-9-11/h2-9,14-15H,1H3
InChIKeyFOCBTVGPQBTTLG-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.45
Rot. Bonds4

About 2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide

2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide (PubChem CID 54911187) has the molecular formula C13H13NO3S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide
PubChem CID54911187
Molecular FormulaC13H13NO3S2
Molecular Weight295.39 g/mol
Exact Mass295.03
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Sc1ccc(O)cc1
InChIInChI=1S/C13H13NO3S2/c1-14-19(16,17)13-5-3-2-4-12(13)18-11-8-6-10(15)7-9-11/h2-9,14-15H,1H3
InChIKeyFOCBTVGPQBTTLG-UHFFFAOYSA-N
XLogP2.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-hydroxyphenyl)sulfanyl-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 2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide (CID 54911187) is 2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1Sc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide?
The InChIKey is FOCBTVGPQBTTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S2/c1-14-19(16,17)13-5-3-2-4-12(13)18-11-8-6-10(15)7-9-11/h2-9,14-15H,1H3.
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide?
2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide has a molecular weight of 295.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 54911187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).