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

C14H11F4NO4S2 — CID 71584332

IUPAC2,3,5,6-tetrafluoro-4-(2-phenylethylsulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)CCc2ccccc2)c(F)c1F
InChIInChI=1S/C14H11F4NO4S2/c15-9-11(17)14(25(19,22)23)12(18)10(16)13(9)24(20,21)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,19,22,23)
InChIKeyXJNXCEJSOGKOSI-UHFFFAOYSA-N
MW397.37 g/mol
LogP1.91
Rot. Bonds5

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

2,3,5,6-tetrafluoro-4-(2-phenylethylsulfonyl)benzenesulfonamide (PubChem CID 71584332) has the molecular formula C14H11F4NO4S2 and a molecular weight of 397.37 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(2-phenylethylsulfonyl)benzenesulfonamide
PubChem CID71584332
Molecular FormulaC14H11F4NO4S2
Molecular Weight397.37 g/mol
Exact Mass397.01
IUPAC Name2,3,5,6-tetrafluoro-4-(2-phenylethylsulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)CCc2ccccc2)c(F)c1F
InChIInChI=1S/C14H11F4NO4S2/c15-9-11(17)14(25(19,22)23)12(18)10(16)13(9)24(20,21)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,19,22,23)
InChIKeyXJNXCEJSOGKOSI-UHFFFAOYSA-N
XLogP1.91
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-phenylethylsulfonyl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfonyl)benzenesulfonamide (CID 71584332) is 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfonyl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfonyl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfonyl)benzenesulfonamide is NS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)CCc2ccccc2)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfonyl)benzenesulfonamide?
The InChIKey is XJNXCEJSOGKOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO4S2/c15-9-11(17)14(25(19,22)23)12(18)10(16)13(9)24(20,21)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,19,22,23).
What are the key properties of 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfonyl)benzenesulfonamide?
2,3,5,6-tetrafluoro-4-(2-phenylethylsulfonyl)benzenesulfonamide has a molecular weight of 397.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 71584332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).