3-fluoro-N-pyridin-3-ylbenzenesulfonamide

C11H9FN2O2S — CID 890614

IUPAC3-fluoro-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1cccc(F)c1
InChIInChI=1S/C11H9FN2O2S/c12-9-3-1-5-11(7-9)17(15,16)14-10-4-2-6-13-8-10/h1-8,14H
InChIKeyDLJOJVFKBMIRFC-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.02
Rot. Bonds3

About 3-fluoro-N-pyridin-3-ylbenzenesulfonamide

3-fluoro-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 890614) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-fluoro-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-pyridin-3-ylbenzenesulfonamide
PubChem CID890614
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name3-fluoro-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1cccc(F)c1
InChIInChI=1S/C11H9FN2O2S/c12-9-3-1-5-11(7-9)17(15,16)14-10-4-2-6-13-8-10/h1-8,14H
InChIKeyDLJOJVFKBMIRFC-UHFFFAOYSA-N
XLogP2.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-pyridin-3-ylbenzenesulfonamide (CID 890614) is 3-fluoro-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-pyridin-3-ylbenzenesulfonamide is O=S(=O)(Nc1cccnc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is DLJOJVFKBMIRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c12-9-3-1-5-11(7-9)17(15,16)14-10-4-2-6-13-8-10/h1-8,14H.
What are the key properties of 3-fluoro-N-pyridin-3-ylbenzenesulfonamide?
3-fluoro-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 252.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 890614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).