4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide

C12H9F3N2O3S — CID 99771190

IUPAC4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C12H9F3N2O3S/c13-12(14,15)8-1-6-11(17-7-8)20-9-2-4-10(5-3-9)21(16,18)19/h1-7H,(H2,16,18,19)
InChIKeyUWMKWABVZPQPLO-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.54
Rot. Bonds3

About 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide

4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide (PubChem CID 99771190) has the molecular formula C12H9F3N2O3S and a molecular weight of 318.28 g/mol. Its IUPAC name is 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
PubChem CID99771190
Molecular FormulaC12H9F3N2O3S
Molecular Weight318.28 g/mol
Exact Mass318.03
IUPAC Name4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C12H9F3N2O3S/c13-12(14,15)8-1-6-11(17-7-8)20-9-2-4-10(5-3-9)21(16,18)19/h1-7H,(H2,16,18,19)
InChIKeyUWMKWABVZPQPLO-UHFFFAOYSA-N
XLogP2.54
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide?
The IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide (CID 99771190) is 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide?
The canonical SMILES for 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide is NS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide?
The InChIKey is UWMKWABVZPQPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3S/c13-12(14,15)8-1-6-11(17-7-8)20-9-2-4-10(5-3-9)21(16,18)19/h1-7H,(H2,16,18,19).
What are the key properties of 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide?
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide has a molecular weight of 318.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide is sourced from PubChem (CID 99771190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).