4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide

C15H16FNO2S2 — CID 2275256

IUPAC4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide
SMILESCc1ccc(SCCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FNO2S2/c1-12-2-6-14(7-3-12)20-11-10-17-21(18,19)15-8-4-13(16)5-9-15/h2-9,17H,10-11H2,1H3
InChIKeyYHZKTFAVCZKVIM-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.20
Rot. Bonds6

About 4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide

4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide (PubChem CID 2275256) has the molecular formula C15H16FNO2S2 and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide
PubChem CID2275256
Molecular FormulaC15H16FNO2S2
Molecular Weight325.43 g/mol
Exact Mass325.06
IUPAC Name4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide
SMILESCc1ccc(SCCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FNO2S2/c1-12-2-6-14(7-3-12)20-11-10-17-21(18,19)15-8-4-13(16)5-9-15/h2-9,17H,10-11H2,1H3
InChIKeyYHZKTFAVCZKVIM-UHFFFAOYSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide (CID 2275256) is 4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide is Cc1ccc(SCCNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide?
The InChIKey is YHZKTFAVCZKVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S2/c1-12-2-6-14(7-3-12)20-11-10-17-21(18,19)15-8-4-13(16)5-9-15/h2-9,17H,10-11H2,1H3.
What are the key properties of 4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide?
4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide is sourced from PubChem (CID 2275256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).