3-fluoro-4-pyridin-4-ylbenzenesulfonamide

C11H9FN2O2S — CID 131915526

IUPAC3-fluoro-4-pyridin-4-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccncc2)c(F)c1
InChIInChI=1S/C11H9FN2O2S/c12-11-7-9(17(13,15)16)1-2-10(11)8-3-5-14-6-4-8/h1-7H,(H2,13,15,16)
InChIKeyBEOAXPCQWHKBBE-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.54
Rot. Bonds2

About 3-fluoro-4-pyridin-4-ylbenzenesulfonamide

3-fluoro-4-pyridin-4-ylbenzenesulfonamide (PubChem CID 131915526) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-fluoro-4-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-pyridin-4-ylbenzenesulfonamide
PubChem CID131915526
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name3-fluoro-4-pyridin-4-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccncc2)c(F)c1
InChIInChI=1S/C11H9FN2O2S/c12-11-7-9(17(13,15)16)1-2-10(11)8-3-5-14-6-4-8/h1-7H,(H2,13,15,16)
InChIKeyBEOAXPCQWHKBBE-UHFFFAOYSA-N
XLogP1.54
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 3-fluoro-4-pyridin-4-ylbenzenesulfonamide (CID 131915526) is 3-fluoro-4-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-4-pyridin-4-ylbenzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccncc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-pyridin-4-ylbenzenesulfonamide?
The InChIKey is BEOAXPCQWHKBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c12-11-7-9(17(13,15)16)1-2-10(11)8-3-5-14-6-4-8/h1-7H,(H2,13,15,16).
What are the key properties of 3-fluoro-4-pyridin-4-ylbenzenesulfonamide?
3-fluoro-4-pyridin-4-ylbenzenesulfonamide has a molecular weight of 252.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 131915526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).