3-fluoro-5-pyridin-3-ylbenzenesulfonyl chloride

C11H7ClFNO2S — CID 46315530

IUPAC3-fluoro-5-pyridin-3-ylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)cc(-c2cccnc2)c1
InChIInChI=1S/C11H7ClFNO2S/c12-17(15,16)11-5-9(4-10(13)6-11)8-2-1-3-14-7-8/h1-7H
InChIKeyHTAZCLZQUIMDKV-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.82
Rot. Bonds2

About 3-fluoro-5-pyridin-3-ylbenzenesulfonyl chloride

3-fluoro-5-pyridin-3-ylbenzenesulfonyl chloride (PubChem CID 46315530) has the molecular formula C11H7ClFNO2S and a molecular weight of 271.70 g/mol. Its IUPAC name is 3-fluoro-5-pyridin-3-ylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-5-pyridin-3-ylbenzenesulfonyl chloride
PubChem CID46315530
Molecular FormulaC11H7ClFNO2S
Molecular Weight271.70 g/mol
Exact Mass270.99
IUPAC Name3-fluoro-5-pyridin-3-ylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)cc(-c2cccnc2)c1
InChIInChI=1S/C11H7ClFNO2S/c12-17(15,16)11-5-9(4-10(13)6-11)8-2-1-3-14-7-8/h1-7H
InChIKeyHTAZCLZQUIMDKV-UHFFFAOYSA-N
XLogP2.82
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-pyridin-3-ylbenzenesulfonyl chloride?
The IUPAC name of 3-fluoro-5-pyridin-3-ylbenzenesulfonyl chloride (CID 46315530) is 3-fluoro-5-pyridin-3-ylbenzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-5-pyridin-3-ylbenzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-5-pyridin-3-ylbenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)cc(-c2cccnc2)c1.
What is the InChIKey of 3-fluoro-5-pyridin-3-ylbenzenesulfonyl chloride?
The InChIKey is HTAZCLZQUIMDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO2S/c12-17(15,16)11-5-9(4-10(13)6-11)8-2-1-3-14-7-8/h1-7H.
What are the key properties of 3-fluoro-5-pyridin-3-ylbenzenesulfonyl chloride?
3-fluoro-5-pyridin-3-ylbenzenesulfonyl chloride has a molecular weight of 271.70 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-pyridin-3-ylbenzenesulfonyl chloride is sourced from PubChem (CID 46315530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).