2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonamide

C12H7F4NO3S — CID 71584327

IUPAC2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(Oc2ccccc2)c(F)c1F
InChIInChI=1S/C12H7F4NO3S/c13-7-9(15)12(21(17,18)19)10(16)8(14)11(7)20-6-4-2-1-3-5-6/h1-5H,(H2,17,18,19)
InChIKeyODAPZIQZQHNWJS-UHFFFAOYSA-N
MW321.25 g/mol
LogP2.68
Rot. Bonds3

About 2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonamide

2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonamide (PubChem CID 71584327) has the molecular formula C12H7F4NO3S and a molecular weight of 321.25 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonamide
PubChem CID71584327
Molecular FormulaC12H7F4NO3S
Molecular Weight321.25 g/mol
Exact Mass321.01
IUPAC Name2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(Oc2ccccc2)c(F)c1F
InChIInChI=1S/C12H7F4NO3S/c13-7-9(15)12(21(17,18)19)10(16)8(14)11(7)20-6-4-2-1-3-5-6/h1-5H,(H2,17,18,19)
InChIKeyODAPZIQZQHNWJS-UHFFFAOYSA-N
XLogP2.68
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 52.68
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-phenoxybenzenesulfonamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonamide (CID 71584327) is 2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonamide is NS(=O)(=O)c1c(F)c(F)c(Oc2ccccc2)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonamide?
The InChIKey is ODAPZIQZQHNWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO3S/c13-7-9(15)12(21(17,18)19)10(16)8(14)11(7)20-6-4-2-1-3-5-6/h1-5H,(H2,17,18,19).
What are the key properties of 2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonamide?
2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonamide has a molecular weight of 321.25 g/mol, XLogP of 2.68, 3 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-phenoxybenzenesulfonamide is sourced from PubChem (CID 71584327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).