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

C9H9FO3S — CID 155530930

IUPAC(E)-2-(2-methoxyphenyl)ethenesulfonyl fluoride
SMILESCOc1ccccc1/C=C/S(=O)(=O)F
InChIInChI=1S/C9H9FO3S/c1-13-9-5-3-2-4-8(9)6-7-14(10,11)12/h2-7H,1H3/b7-6+
InChIKeyWPLSDBHRSYANSV-VOTSOKGWSA-N
MW216.23 g/mol
LogP1.97
Rot. Bonds3

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

(E)-2-(2-methoxyphenyl)ethenesulfonyl fluoride (PubChem CID 155530930) has the molecular formula C9H9FO3S and a molecular weight of 216.23 g/mol. Its IUPAC name is (E)-2-(2-methoxyphenyl)ethenesulfonyl fluoride.

Molecular Properties

Compound Name(E)-2-(2-methoxyphenyl)ethenesulfonyl fluoride
PubChem CID155530930
Molecular FormulaC9H9FO3S
Molecular Weight216.23 g/mol
Exact Mass216.03
IUPAC Name(E)-2-(2-methoxyphenyl)ethenesulfonyl fluoride
SMILESCOc1ccccc1/C=C/S(=O)(=O)F
InChIInChI=1S/C9H9FO3S/c1-13-9-5-3-2-4-8(9)6-7-14(10,11)12/h2-7H,1H3/b7-6+
InChIKeyWPLSDBHRSYANSV-VOTSOKGWSA-N
XLogP1.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-methoxyphenyl)ethenesulfonyl fluoride?
The IUPAC name of (E)-2-(2-methoxyphenyl)ethenesulfonyl fluoride (CID 155530930) is (E)-2-(2-methoxyphenyl)ethenesulfonyl fluoride.
What is the SMILES notation for (E)-2-(2-methoxyphenyl)ethenesulfonyl fluoride?
The canonical SMILES for (E)-2-(2-methoxyphenyl)ethenesulfonyl fluoride is COc1ccccc1/C=C/S(=O)(=O)F.
What is the InChIKey of (E)-2-(2-methoxyphenyl)ethenesulfonyl fluoride?
The InChIKey is WPLSDBHRSYANSV-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H9FO3S/c1-13-9-5-3-2-4-8(9)6-7-14(10,11)12/h2-7H,1H3/b7-6+.
What are the key properties of (E)-2-(2-methoxyphenyl)ethenesulfonyl fluoride?
(E)-2-(2-methoxyphenyl)ethenesulfonyl fluoride has a molecular weight of 216.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-methoxyphenyl)ethenesulfonyl fluoride is sourced from PubChem (CID 155530930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).