3-fluoro-2-(methylsulfonylmethyl)benzenesulfonyl chloride

C8H8ClFO4S2 — CID 79082857

IUPAC3-fluoro-2-(methylsulfonylmethyl)benzenesulfonyl chloride
SMILESCS(=O)(=O)Cc1c(F)cccc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO4S2/c1-15(11,12)5-6-7(10)3-2-4-8(6)16(9,13)14/h2-4H,5H2,1H3
InChIKeyHQDMMGXQIVSKMW-UHFFFAOYSA-N
MW286.73 g/mol
LogP1.30
Rot. Bonds3

About 3-fluoro-2-(methylsulfonylmethyl)benzenesulfonyl chloride

3-fluoro-2-(methylsulfonylmethyl)benzenesulfonyl chloride (PubChem CID 79082857) has the molecular formula C8H8ClFO4S2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 3-fluoro-2-(methylsulfonylmethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-2-(methylsulfonylmethyl)benzenesulfonyl chloride
PubChem CID79082857
Molecular FormulaC8H8ClFO4S2
Molecular Weight286.73 g/mol
Exact Mass285.95
IUPAC Name3-fluoro-2-(methylsulfonylmethyl)benzenesulfonyl chloride
SMILESCS(=O)(=O)Cc1c(F)cccc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO4S2/c1-15(11,12)5-6-7(10)3-2-4-8(6)16(9,13)14/h2-4H,5H2,1H3
InChIKeyHQDMMGXQIVSKMW-UHFFFAOYSA-N
XLogP1.30
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylsulfonylmethyl)benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-2-(methylsulfonylmethyl)benzenesulfonyl chloride (CID 79082857) is 3-fluoro-2-(methylsulfonylmethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-2-(methylsulfonylmethyl)benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-2-(methylsulfonylmethyl)benzenesulfonyl chloride is CS(=O)(=O)Cc1c(F)cccc1S(=O)(=O)Cl.
What is the InChIKey of 3-fluoro-2-(methylsulfonylmethyl)benzenesulfonyl chloride?
The InChIKey is HQDMMGXQIVSKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO4S2/c1-15(11,12)5-6-7(10)3-2-4-8(6)16(9,13)14/h2-4H,5H2,1H3.
What are the key properties of 3-fluoro-2-(methylsulfonylmethyl)benzenesulfonyl chloride?
3-fluoro-2-(methylsulfonylmethyl)benzenesulfonyl chloride has a molecular weight of 286.73 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylsulfonylmethyl)benzenesulfonyl chloride is sourced from PubChem (CID 79082857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).