(5-ethyl-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride

C10H12ClFO3S — CID 84711708

IUPAC(5-ethyl-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride
SMILESCCc1cc(F)c(OC)c(CS(=O)(=O)Cl)c1
InChIInChI=1S/C10H12ClFO3S/c1-3-7-4-8(6-16(11,13)14)10(15-2)9(12)5-7/h4-5H,3,6H2,1-2H3
InChIKeyBYWLRQQTFMXDJF-UHFFFAOYSA-N
MW266.72 g/mol
LogP2.47
Rot. Bonds4

About (5-ethyl-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride

(5-ethyl-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride (PubChem CID 84711708) has the molecular formula C10H12ClFO3S and a molecular weight of 266.72 g/mol. Its IUPAC name is (5-ethyl-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-ethyl-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride
PubChem CID84711708
Molecular FormulaC10H12ClFO3S
Molecular Weight266.72 g/mol
Exact Mass266.02
IUPAC Name(5-ethyl-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride
SMILESCCc1cc(F)c(OC)c(CS(=O)(=O)Cl)c1
InChIInChI=1S/C10H12ClFO3S/c1-3-7-4-8(6-16(11,13)14)10(15-2)9(12)5-7/h4-5H,3,6H2,1-2H3
InChIKeyBYWLRQQTFMXDJF-UHFFFAOYSA-N
XLogP2.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (5-ethyl-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride (CID 84711708) is (5-ethyl-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (5-ethyl-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (5-ethyl-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride is CCc1cc(F)c(OC)c(CS(=O)(=O)Cl)c1.
What is the InChIKey of (5-ethyl-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is BYWLRQQTFMXDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO3S/c1-3-7-4-8(6-16(11,13)14)10(15-2)9(12)5-7/h4-5H,3,6H2,1-2H3.
What are the key properties of (5-ethyl-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride?
(5-ethyl-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 266.72 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84711708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).