(2-fluoro-5-methylphenyl)methanesulfonyl chloride

C8H8ClFO2S — CID 83708286

IUPAC(2-fluoro-5-methylphenyl)methanesulfonyl chloride
SMILESCc1ccc(F)c(CS(=O)(=O)Cl)c1
InChIInChI=1S/C8H8ClFO2S/c1-6-2-3-8(10)7(4-6)5-13(9,11)12/h2-4H,5H2,1H3
InChIKeyYLKQIWLXKONBRU-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.20
Rot. Bonds2

About (2-fluoro-5-methylphenyl)methanesulfonyl chloride

(2-fluoro-5-methylphenyl)methanesulfonyl chloride (PubChem CID 83708286) has the molecular formula C8H8ClFO2S and a molecular weight of 222.67 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)methanesulfonyl chloride
PubChem CID83708286
Molecular FormulaC8H8ClFO2S
Molecular Weight222.67 g/mol
Exact Mass221.99
IUPAC Name(2-fluoro-5-methylphenyl)methanesulfonyl chloride
SMILESCc1ccc(F)c(CS(=O)(=O)Cl)c1
InChIInChI=1S/C8H8ClFO2S/c1-6-2-3-8(10)7(4-6)5-13(9,11)12/h2-4H,5H2,1H3
InChIKeyYLKQIWLXKONBRU-UHFFFAOYSA-N
XLogP2.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (2-fluoro-5-methylphenyl)methanesulfonyl chloride (CID 83708286) is (2-fluoro-5-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-fluoro-5-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (2-fluoro-5-methylphenyl)methanesulfonyl chloride is Cc1ccc(F)c(CS(=O)(=O)Cl)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)methanesulfonyl chloride?
The InChIKey is YLKQIWLXKONBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO2S/c1-6-2-3-8(10)7(4-6)5-13(9,11)12/h2-4H,5H2,1H3.
What are the key properties of (2-fluoro-5-methylphenyl)methanesulfonyl chloride?
(2-fluoro-5-methylphenyl)methanesulfonyl chloride has a molecular weight of 222.67 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 83708286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).