2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide

C12H9F3N2O3S — CID 82795405

IUPAC2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)nc1)c1ccccc1O
InChIInChI=1S/C12H9F3N2O3S/c13-12(14,15)11-6-5-8(7-16-11)17-21(19,20)10-4-2-1-3-9(10)18/h1-7,17-18H
InChIKeyCTTALBIWRRNYLT-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.61
Rot. Bonds3

About 2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide

2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 82795405) has the molecular formula C12H9F3N2O3S and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
PubChem CID82795405
Molecular FormulaC12H9F3N2O3S
Molecular Weight318.28 g/mol
Exact Mass318.03
IUPAC Name2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)nc1)c1ccccc1O
InChIInChI=1S/C12H9F3N2O3S/c13-12(14,15)11-6-5-8(7-16-11)17-21(19,20)10-4-2-1-3-9(10)18/h1-7,17-18H
InChIKeyCTTALBIWRRNYLT-UHFFFAOYSA-N
XLogP2.61
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide (CID 82795405) is 2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)nc1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is CTTALBIWRRNYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3S/c13-12(14,15)11-6-5-8(7-16-11)17-21(19,20)10-4-2-1-3-9(10)18/h1-7,17-18H.
What are the key properties of 2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide?
2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 318.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 82795405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).