(E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride

C9H8ClFO3S — CID 164668938

IUPAC(E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride
SMILESCOc1ccc(/C(Cl)=C\S(=O)(=O)F)cc1
InChIInChI=1S/C9H8ClFO3S/c1-14-8-4-2-7(3-5-8)9(10)6-15(11,12)13/h2-6H,1H3/b9-6+
InChIKeySALPDPPXZLKTQU-RMKNXTFCSA-N
MW250.68 g/mol
LogP2.53
Rot. Bonds3

About (E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride

(E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride (PubChem CID 164668938) has the molecular formula C9H8ClFO3S and a molecular weight of 250.68 g/mol. Its IUPAC name is (E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride.

Molecular Properties

Compound Name(E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride
PubChem CID164668938
Molecular FormulaC9H8ClFO3S
Molecular Weight250.68 g/mol
Exact Mass249.99
IUPAC Name(E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride
SMILESCOc1ccc(/C(Cl)=C\S(=O)(=O)F)cc1
InChIInChI=1S/C9H8ClFO3S/c1-14-8-4-2-7(3-5-8)9(10)6-15(11,12)13/h2-6H,1H3/b9-6+
InChIKeySALPDPPXZLKTQU-RMKNXTFCSA-N
XLogP2.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride?
The IUPAC name of (E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride (CID 164668938) is (E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride.
What is the SMILES notation for (E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride?
The canonical SMILES for (E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride is COc1ccc(/C(Cl)=C\S(=O)(=O)F)cc1.
What is the InChIKey of (E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride?
The InChIKey is SALPDPPXZLKTQU-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H8ClFO3S/c1-14-8-4-2-7(3-5-8)9(10)6-15(11,12)13/h2-6H,1H3/b9-6+.
What are the key properties of (E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride?
(E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride has a molecular weight of 250.68 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride is sourced from PubChem (CID 164668938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).