(5-fluoro-2-methoxyphenyl)methanesulfonyl chloride

C8H8ClFO3S — CID 83541916

IUPAC(5-fluoro-2-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1ccc(F)cc1CS(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO3S/c1-13-8-3-2-7(10)4-6(8)5-14(9,11)12/h2-4H,5H2,1H3
InChIKeyPNKBVDGJHIQZCQ-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.90
Rot. Bonds3

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

(5-fluoro-2-methoxyphenyl)methanesulfonyl chloride (PubChem CID 83541916) has the molecular formula C8H8ClFO3S and a molecular weight of 238.67 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)methanesulfonyl chloride
PubChem CID83541916
Molecular FormulaC8H8ClFO3S
Molecular Weight238.67 g/mol
Exact Mass237.99
IUPAC Name(5-fluoro-2-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1ccc(F)cc1CS(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO3S/c1-13-8-3-2-7(10)4-6(8)5-14(9,11)12/h2-4H,5H2,1H3
InChIKeyPNKBVDGJHIQZCQ-UHFFFAOYSA-N
XLogP1.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (5-fluoro-2-methoxyphenyl)methanesulfonyl chloride (CID 83541916) is (5-fluoro-2-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)methanesulfonyl chloride is COc1ccc(F)cc1CS(=O)(=O)Cl.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is PNKBVDGJHIQZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO3S/c1-13-8-3-2-7(10)4-6(8)5-14(9,11)12/h2-4H,5H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)methanesulfonyl chloride?
(5-fluoro-2-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 238.67 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 83541916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).