2-fluoro-4-phenylbenzenesulfonyl chloride

C12H8ClFO2S — CID 46314814

IUPAC2-fluoro-4-phenylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C12H8ClFO2S/c13-17(15,16)12-7-6-10(8-11(12)14)9-4-2-1-3-5-9/h1-8H
InChIKeyPMIHHBZAIKZKKU-UHFFFAOYSA-N
MW270.71 g/mol
LogP3.42
Rot. Bonds2

About 2-fluoro-4-phenylbenzenesulfonyl chloride

2-fluoro-4-phenylbenzenesulfonyl chloride (PubChem CID 46314814) has the molecular formula C12H8ClFO2S and a molecular weight of 270.71 g/mol. Its IUPAC name is 2-fluoro-4-phenylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-4-phenylbenzenesulfonyl chloride
PubChem CID46314814
Molecular FormulaC12H8ClFO2S
Molecular Weight270.71 g/mol
Exact Mass269.99
IUPAC Name2-fluoro-4-phenylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C12H8ClFO2S/c13-17(15,16)12-7-6-10(8-11(12)14)9-4-2-1-3-5-9/h1-8H
InChIKeyPMIHHBZAIKZKKU-UHFFFAOYSA-N
XLogP3.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-phenylbenzenesulfonyl chloride?
The IUPAC name of 2-fluoro-4-phenylbenzenesulfonyl chloride (CID 46314814) is 2-fluoro-4-phenylbenzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-4-phenylbenzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-4-phenylbenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2ccccc2)cc1F.
What is the InChIKey of 2-fluoro-4-phenylbenzenesulfonyl chloride?
The InChIKey is PMIHHBZAIKZKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO2S/c13-17(15,16)12-7-6-10(8-11(12)14)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2-fluoro-4-phenylbenzenesulfonyl chloride?
2-fluoro-4-phenylbenzenesulfonyl chloride has a molecular weight of 270.71 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-phenylbenzenesulfonyl chloride is sourced from PubChem (CID 46314814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).