4-fluoro-3-(methoxymethyl)benzenesulfonyl chloride

C8H8ClFO3S — CID 83271718

IUPAC4-fluoro-3-(methoxymethyl)benzenesulfonyl chloride
SMILESCOCc1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C8H8ClFO3S/c1-13-5-6-4-7(14(9,11)12)2-3-8(6)10/h2-4H,5H2,1H3
InChIKeyBEJIPMIEUJAPND-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.90
Rot. Bonds3

About 4-fluoro-3-(methoxymethyl)benzenesulfonyl chloride

4-fluoro-3-(methoxymethyl)benzenesulfonyl chloride (PubChem CID 83271718) has the molecular formula C8H8ClFO3S and a molecular weight of 238.67 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)benzenesulfonyl chloride
PubChem CID83271718
Molecular FormulaC8H8ClFO3S
Molecular Weight238.67 g/mol
Exact Mass237.99
IUPAC Name4-fluoro-3-(methoxymethyl)benzenesulfonyl chloride
SMILESCOCc1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C8H8ClFO3S/c1-13-5-6-4-7(14(9,11)12)2-3-8(6)10/h2-4H,5H2,1H3
InChIKeyBEJIPMIEUJAPND-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 4-fluoro-3-(methoxymethyl)benzenesulfonyl chloride?
The IUPAC name of 4-fluoro-3-(methoxymethyl)benzenesulfonyl chloride (CID 83271718) is 4-fluoro-3-(methoxymethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)benzenesulfonyl chloride is COCc1cc(S(=O)(=O)Cl)ccc1F.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)benzenesulfonyl chloride?
The InChIKey is BEJIPMIEUJAPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO3S/c1-13-5-6-4-7(14(9,11)12)2-3-8(6)10/h2-4H,5H2,1H3.
What are the key properties of 4-fluoro-3-(methoxymethyl)benzenesulfonyl chloride?
4-fluoro-3-(methoxymethyl)benzenesulfonyl 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 4-fluoro-3-(methoxymethyl)benzenesulfonyl chloride is sourced from PubChem (CID 83271718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).