1-chloro-2-[2-(3-fluorophenyl)prop-2-enylsulfonyl]benzene

C15H12ClFO2S — CID 19891484

IUPAC1-chloro-2-[2-(3-fluorophenyl)prop-2-enylsulfonyl]benzene
SMILESC=C(CS(=O)(=O)c1ccccc1Cl)c1cccc(F)c1
InChIInChI=1S/C15H12ClFO2S/c1-11(12-5-4-6-13(17)9-12)10-20(18,19)15-8-3-2-7-14(15)16/h2-9H,1,10H2
InChIKeyGPXWQLUSPHHSNJ-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.97
Rot. Bonds4

About 1-chloro-2-[2-(3-fluorophenyl)prop-2-enylsulfonyl]benzene

1-chloro-2-[2-(3-fluorophenyl)prop-2-enylsulfonyl]benzene (PubChem CID 19891484) has the molecular formula C15H12ClFO2S and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-chloro-2-[2-(3-fluorophenyl)prop-2-enylsulfonyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[2-(3-fluorophenyl)prop-2-enylsulfonyl]benzene
PubChem CID19891484
Molecular FormulaC15H12ClFO2S
Molecular Weight310.78 g/mol
Exact Mass310.02
IUPAC Name1-chloro-2-[2-(3-fluorophenyl)prop-2-enylsulfonyl]benzene
SMILESC=C(CS(=O)(=O)c1ccccc1Cl)c1cccc(F)c1
InChIInChI=1S/C15H12ClFO2S/c1-11(12-5-4-6-13(17)9-12)10-20(18,19)15-8-3-2-7-14(15)16/h2-9H,1,10H2
InChIKeyGPXWQLUSPHHSNJ-UHFFFAOYSA-N
XLogP3.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-2-[2-(3-fluorophenyl)prop-2-enylsulfonyl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-(3-fluorophenyl)prop-2-enylsulfonyl]benzene?
The IUPAC name of 1-chloro-2-[2-(3-fluorophenyl)prop-2-enylsulfonyl]benzene (CID 19891484) is 1-chloro-2-[2-(3-fluorophenyl)prop-2-enylsulfonyl]benzene.
What is the SMILES notation for 1-chloro-2-[2-(3-fluorophenyl)prop-2-enylsulfonyl]benzene?
The canonical SMILES for 1-chloro-2-[2-(3-fluorophenyl)prop-2-enylsulfonyl]benzene is C=C(CS(=O)(=O)c1ccccc1Cl)c1cccc(F)c1.
What is the InChIKey of 1-chloro-2-[2-(3-fluorophenyl)prop-2-enylsulfonyl]benzene?
The InChIKey is GPXWQLUSPHHSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2S/c1-11(12-5-4-6-13(17)9-12)10-20(18,19)15-8-3-2-7-14(15)16/h2-9H,1,10H2.
What are the key properties of 1-chloro-2-[2-(3-fluorophenyl)prop-2-enylsulfonyl]benzene?
1-chloro-2-[2-(3-fluorophenyl)prop-2-enylsulfonyl]benzene has a molecular weight of 310.78 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-(3-fluorophenyl)prop-2-enylsulfonyl]benzene is sourced from PubChem (CID 19891484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).