2,3,5,6-tetrafluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide

C14H11F4NO2S2 — CID 71584331

IUPAC2,3,5,6-tetrafluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(SCCc2ccccc2)c(F)c1F
InChIInChI=1S/C14H11F4NO2S2/c15-9-11(17)14(23(19,20)21)12(18)10(16)13(9)22-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,19,20,21)
InChIKeyQVTWNMKKLBUIIT-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.23
Rot. Bonds5

About 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide

2,3,5,6-tetrafluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide (PubChem CID 71584331) has the molecular formula C14H11F4NO2S2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide
PubChem CID71584331
Molecular FormulaC14H11F4NO2S2
Molecular Weight365.37 g/mol
Exact Mass365.02
IUPAC Name2,3,5,6-tetrafluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(SCCc2ccccc2)c(F)c1F
InChIInChI=1S/C14H11F4NO2S2/c15-9-11(17)14(23(19,20)21)12(18)10(16)13(9)22-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,19,20,21)
InChIKeyQVTWNMKKLBUIIT-UHFFFAOYSA-N
XLogP3.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide (CID 71584331) is 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide is NS(=O)(=O)c1c(F)c(F)c(SCCc2ccccc2)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide?
The InChIKey is QVTWNMKKLBUIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO2S2/c15-9-11(17)14(23(19,20)21)12(18)10(16)13(9)22-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,19,20,21).
What are the key properties of 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide?
2,3,5,6-tetrafluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide has a molecular weight of 365.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 71584331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).