2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride

C8H7Cl2FO2S — CID 82482802

IUPAC2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1cc(Cl)ccc1F
InChIInChI=1S/C8H7Cl2FO2S/c9-7-1-2-8(11)6(5-7)3-4-14(10,12)13/h1-2,5H,3-4H2
InChIKeyHESXOOFTZZBOOI-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.59
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride

2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride (PubChem CID 82482802) has the molecular formula C8H7Cl2FO2S and a molecular weight of 257.11 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride
PubChem CID82482802
Molecular FormulaC8H7Cl2FO2S
Molecular Weight257.11 g/mol
Exact Mass255.95
IUPAC Name2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1cc(Cl)ccc1F
InChIInChI=1S/C8H7Cl2FO2S/c9-7-1-2-8(11)6(5-7)3-4-14(10,12)13/h1-2,5H,3-4H2
InChIKeyHESXOOFTZZBOOI-UHFFFAOYSA-N
XLogP2.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-fluorophenyl)methanesulfonyl chloride
CID 53401491
2-(2-fluorophenyl)ethanesulfonyl chloride
CID 2759096
2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride
CID 84809280
2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride
CID 83742577
2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride
CID 84805405
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide
CID 110790550
sodium;2-(4-chloro-2-fluorophenyl)ethanesulfonic acid;hydride
CID 173143552
4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride
CID 98703148
4-chloro-1-fluoro-2-(2-isocyanatoethyl)benzene
CID 82649928
3-(5-chloro-2-fluorophenyl)propanenitrile
CID 82468446
(5-chloro-2-iodophenyl)methanesulfonyl chloride
CID 130841670

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride (CID 82482802) is 2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride is O=S(=O)(Cl)CCc1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride?
The InChIKey is HESXOOFTZZBOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO2S/c9-7-1-2-8(11)6(5-7)3-4-14(10,12)13/h1-2,5H,3-4H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride?
2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride has a molecular weight of 257.11 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride is sourced from PubChem (CID 82482802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).