(4-fluoro-2-methylphenyl)methanesulfonyl chloride

C8H8ClFO2S — CID 62134996

IUPAC(4-fluoro-2-methylphenyl)methanesulfonyl chloride
SMILESCc1cc(F)ccc1CS(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO2S/c1-6-4-8(10)3-2-7(6)5-13(9,11)12/h2-4H,5H2,1H3
InChIKeySDBXWNASKGTXCD-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.20
Rot. Bonds2

About (4-fluoro-2-methylphenyl)methanesulfonyl chloride

(4-fluoro-2-methylphenyl)methanesulfonyl chloride (PubChem CID 62134996) has the molecular formula C8H8ClFO2S and a molecular weight of 222.67 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)methanesulfonyl chloride
PubChem CID62134996
Molecular FormulaC8H8ClFO2S
Molecular Weight222.67 g/mol
Exact Mass221.99
IUPAC Name(4-fluoro-2-methylphenyl)methanesulfonyl chloride
SMILESCc1cc(F)ccc1CS(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO2S/c1-6-4-8(10)3-2-7(6)5-13(9,11)12/h2-4H,5H2,1H3
InChIKeySDBXWNASKGTXCD-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 (4-fluoro-2-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (4-fluoro-2-methylphenyl)methanesulfonyl chloride (CID 62134996) is (4-fluoro-2-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-fluoro-2-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (4-fluoro-2-methylphenyl)methanesulfonyl chloride is Cc1cc(F)ccc1CS(=O)(=O)Cl.
What is the InChIKey of (4-fluoro-2-methylphenyl)methanesulfonyl chloride?
The InChIKey is SDBXWNASKGTXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO2S/c1-6-4-8(10)3-2-7(6)5-13(9,11)12/h2-4H,5H2,1H3.
What are the key properties of (4-fluoro-2-methylphenyl)methanesulfonyl chloride?
(4-fluoro-2-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 (4-fluoro-2-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 62134996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).