2-fluoro-N-(3-phenylsulfanylpropyl)benzenesulfonamide

C15H16FNO2S2 — CID 2450143

IUPAC2-fluoro-N-(3-phenylsulfanylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCSc1ccccc1)c1ccccc1F
InChIInChI=1S/C15H16FNO2S2/c16-14-9-4-5-10-15(14)21(18,19)17-11-6-12-20-13-7-2-1-3-8-13/h1-5,7-10,17H,6,11-12H2
InChIKeyWUWFKHQJZCCXCL-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.29
Rot. Bonds7

About 2-fluoro-N-(3-phenylsulfanylpropyl)benzenesulfonamide

2-fluoro-N-(3-phenylsulfanylpropyl)benzenesulfonamide (PubChem CID 2450143) has the molecular formula C15H16FNO2S2 and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-fluoro-N-(3-phenylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(3-phenylsulfanylpropyl)benzenesulfonamide
PubChem CID2450143
Molecular FormulaC15H16FNO2S2
Molecular Weight325.43 g/mol
Exact Mass325.06
IUPAC Name2-fluoro-N-(3-phenylsulfanylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCSc1ccccc1)c1ccccc1F
InChIInChI=1S/C15H16FNO2S2/c16-14-9-4-5-10-15(14)21(18,19)17-11-6-12-20-13-7-2-1-3-8-13/h1-5,7-10,17H,6,11-12H2
InChIKeyWUWFKHQJZCCXCL-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.29
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 2-fluoro-N-(3-phenylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(3-phenylsulfanylpropyl)benzenesulfonamide (CID 2450143) is 2-fluoro-N-(3-phenylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(3-phenylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(3-phenylsulfanylpropyl)benzenesulfonamide is O=S(=O)(NCCCSc1ccccc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(3-phenylsulfanylpropyl)benzenesulfonamide?
The InChIKey is WUWFKHQJZCCXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S2/c16-14-9-4-5-10-15(14)21(18,19)17-11-6-12-20-13-7-2-1-3-8-13/h1-5,7-10,17H,6,11-12H2.
What are the key properties of 2-fluoro-N-(3-phenylsulfanylpropyl)benzenesulfonamide?
2-fluoro-N-(3-phenylsulfanylpropyl)benzenesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-phenylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 2450143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).