4-(2-phenylethylsulfanyl)benzenesulfonamide

C14H15NO2S2 — CID 71719431

IUPAC4-(2-phenylethylsulfanyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(SCCc2ccccc2)cc1
InChIInChI=1S/C14H15NO2S2/c15-19(16,17)14-8-6-13(7-9-14)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)
InChIKeyBIDLYFNXVUUEMA-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.67
Rot. Bonds5

About 4-(2-phenylethylsulfanyl)benzenesulfonamide

4-(2-phenylethylsulfanyl)benzenesulfonamide (PubChem CID 71719431) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-(2-phenylethylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-phenylethylsulfanyl)benzenesulfonamide
PubChem CID71719431
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC Name4-(2-phenylethylsulfanyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(SCCc2ccccc2)cc1
InChIInChI=1S/C14H15NO2S2/c15-19(16,17)14-8-6-13(7-9-14)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)
InChIKeyBIDLYFNXVUUEMA-UHFFFAOYSA-N
XLogP2.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-phenylethylsulfanyl)benzenesulfonamide 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-(2-phenylethylsulfanyl)benzenesulfonamide?
The IUPAC name of 4-(2-phenylethylsulfanyl)benzenesulfonamide (CID 71719431) is 4-(2-phenylethylsulfanyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-phenylethylsulfanyl)benzenesulfonamide?
The canonical SMILES for 4-(2-phenylethylsulfanyl)benzenesulfonamide is NS(=O)(=O)c1ccc(SCCc2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylethylsulfanyl)benzenesulfonamide?
The InChIKey is BIDLYFNXVUUEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c15-19(16,17)14-8-6-13(7-9-14)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17).
What are the key properties of 4-(2-phenylethylsulfanyl)benzenesulfonamide?
4-(2-phenylethylsulfanyl)benzenesulfonamide has a molecular weight of 293.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 71719431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).