2-chloro-4-fluoro-1-(2-phenylprop-2-enylsulfonyl)benzene

C15H12ClFO2S — CID 19891476

IUPAC2-chloro-4-fluoro-1-(2-phenylprop-2-enylsulfonyl)benzene
SMILESC=C(CS(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C15H12ClFO2S/c1-11(12-5-3-2-4-6-12)10-20(18,19)15-8-7-13(17)9-14(15)16/h2-9H,1,10H2
InChIKeyZVMGRSZUUYXVMI-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.97
Rot. Bonds4

About 2-chloro-4-fluoro-1-(2-phenylprop-2-enylsulfonyl)benzene

2-chloro-4-fluoro-1-(2-phenylprop-2-enylsulfonyl)benzene (PubChem CID 19891476) has the molecular formula C15H12ClFO2S and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1-(2-phenylprop-2-enylsulfonyl)benzene.

Molecular Properties

Compound Name2-chloro-4-fluoro-1-(2-phenylprop-2-enylsulfonyl)benzene
PubChem CID19891476
Molecular FormulaC15H12ClFO2S
Molecular Weight310.78 g/mol
Exact Mass310.02
IUPAC Name2-chloro-4-fluoro-1-(2-phenylprop-2-enylsulfonyl)benzene
SMILESC=C(CS(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C15H12ClFO2S/c1-11(12-5-3-2-4-6-12)10-20(18,19)15-8-7-13(17)9-14(15)16/h2-9H,1,10H2
InChIKeyZVMGRSZUUYXVMI-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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-1-(2-phenylprop-2-enylsulfonyl)benzene?
The IUPAC name of 2-chloro-4-fluoro-1-(2-phenylprop-2-enylsulfonyl)benzene (CID 19891476) is 2-chloro-4-fluoro-1-(2-phenylprop-2-enylsulfonyl)benzene.
What is the SMILES notation for 2-chloro-4-fluoro-1-(2-phenylprop-2-enylsulfonyl)benzene?
The canonical SMILES for 2-chloro-4-fluoro-1-(2-phenylprop-2-enylsulfonyl)benzene is C=C(CS(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-4-fluoro-1-(2-phenylprop-2-enylsulfonyl)benzene?
The InChIKey is ZVMGRSZUUYXVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2S/c1-11(12-5-3-2-4-6-12)10-20(18,19)15-8-7-13(17)9-14(15)16/h2-9H,1,10H2.
What are the key properties of 2-chloro-4-fluoro-1-(2-phenylprop-2-enylsulfonyl)benzene?
2-chloro-4-fluoro-1-(2-phenylprop-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 2-chloro-4-fluoro-1-(2-phenylprop-2-enylsulfonyl)benzene is sourced from PubChem (CID 19891476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).