4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

C12H8F4N2O2S — CID 139196525

IUPAC4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1
InChIInChI=1S/C12H8F4N2O2S/c13-9-2-4-10(5-3-9)21(19,20)18-11-6-1-8(7-17-11)12(14,15)16/h1-7H,(H,17,18)
InChIKeyLVLICBSKDABPAI-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.04
Rot. Bonds3

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

4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 139196525) has the molecular formula C12H8F4N2O2S and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
PubChem CID139196525
Molecular FormulaC12H8F4N2O2S
Molecular Weight320.27 g/mol
Exact Mass320.02
IUPAC Name4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1
InChIInChI=1S/C12H8F4N2O2S/c13-9-2-4-10(5-3-9)21(19,20)18-11-6-1-8(7-17-11)12(14,15)16/h1-7H,(H,17,18)
InChIKeyLVLICBSKDABPAI-UHFFFAOYSA-N
XLogP3.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (CID 139196525) is 4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is LVLICBSKDABPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O2S/c13-9-2-4-10(5-3-9)21(19,20)18-11-6-1-8(7-17-11)12(14,15)16/h1-7H,(H,17,18).
What are the key properties of 4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 320.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 139196525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).