1-(3-methoxyphenyl)ethenesulfonyl fluoride

C9H9FO3S — CID 162414796

IUPAC1-(3-methoxyphenyl)ethenesulfonyl fluoride
SMILESC=C(c1cccc(OC)c1)S(=O)(=O)F
InChIInChI=1S/C9H9FO3S/c1-7(14(10,11)12)8-4-3-5-9(6-8)13-2/h3-6H,1H2,2H3
InChIKeyGIHXHGWBUGTHRM-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.97
Rot. Bonds3

About 1-(3-methoxyphenyl)ethenesulfonyl fluoride

1-(3-methoxyphenyl)ethenesulfonyl fluoride (PubChem CID 162414796) has the molecular formula C9H9FO3S and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)ethenesulfonyl fluoride.

Molecular Properties

Compound Name1-(3-methoxyphenyl)ethenesulfonyl fluoride
PubChem CID162414796
Molecular FormulaC9H9FO3S
Molecular Weight216.23 g/mol
Exact Mass216.03
IUPAC Name1-(3-methoxyphenyl)ethenesulfonyl fluoride
SMILESC=C(c1cccc(OC)c1)S(=O)(=O)F
InChIInChI=1S/C9H9FO3S/c1-7(14(10,11)12)8-4-3-5-9(6-8)13-2/h3-6H,1H2,2H3
InChIKeyGIHXHGWBUGTHRM-UHFFFAOYSA-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

Analyze 1-(3-methoxyphenyl)ethenesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 7530
CID 7530
CID 96691
CID 96691
CID 69305
CID 69305
CID 640753
CID 640753
CID 66353
CID 66353
CID 25017345
CID 25017345
CID 5375954
CID 5375954
CID 15074559
CID 15074559
CID 137546
CID 137546
CID 145149
CID 145149
CID 2737372
CID 2737372
CID 2759713
CID 2759713

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)ethenesulfonyl fluoride?
The IUPAC name of 1-(3-methoxyphenyl)ethenesulfonyl fluoride (CID 162414796) is 1-(3-methoxyphenyl)ethenesulfonyl fluoride.
What is the SMILES notation for 1-(3-methoxyphenyl)ethenesulfonyl fluoride?
The canonical SMILES for 1-(3-methoxyphenyl)ethenesulfonyl fluoride is C=C(c1cccc(OC)c1)S(=O)(=O)F.
What is the InChIKey of 1-(3-methoxyphenyl)ethenesulfonyl fluoride?
The InChIKey is GIHXHGWBUGTHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3S/c1-7(14(10,11)12)8-4-3-5-9(6-8)13-2/h3-6H,1H2,2H3.
What are the key properties of 1-(3-methoxyphenyl)ethenesulfonyl fluoride?
1-(3-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 1-(3-methoxyphenyl)ethenesulfonyl fluoride is sourced from PubChem (CID 162414796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).