2-[1-(4-chlorophenyl)sulfonylethenyl]-1,4-difluorobenzene

C14H9ClF2O2S — CID 11529749

IUPAC2-[1-(4-chlorophenyl)sulfonylethenyl]-1,4-difluorobenzene
SMILESC=C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClF2O2S/c1-9(13-8-11(16)4-7-14(13)17)20(18,19)12-5-2-10(15)3-6-12/h2-8H,1H2
InChIKeyRMPSAKFDHYAEEX-UHFFFAOYSA-N
MW314.74 g/mol
LogP4.06
Rot. Bonds3

About 2-[1-(4-chlorophenyl)sulfonylethenyl]-1,4-difluorobenzene

2-[1-(4-chlorophenyl)sulfonylethenyl]-1,4-difluorobenzene (PubChem CID 11529749) has the molecular formula C14H9ClF2O2S and a molecular weight of 314.74 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonylethenyl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonylethenyl]-1,4-difluorobenzene
PubChem CID11529749
Molecular FormulaC14H9ClF2O2S
Molecular Weight314.74 g/mol
Exact Mass314.00
IUPAC Name2-[1-(4-chlorophenyl)sulfonylethenyl]-1,4-difluorobenzene
SMILESC=C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClF2O2S/c1-9(13-8-11(16)4-7-14(13)17)20(18,19)12-5-2-10(15)3-6-12/h2-8H,1H2
InChIKeyRMPSAKFDHYAEEX-UHFFFAOYSA-N
XLogP4.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonylethenyl]-1,4-difluorobenzene?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonylethenyl]-1,4-difluorobenzene (CID 11529749) is 2-[1-(4-chlorophenyl)sulfonylethenyl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonylethenyl]-1,4-difluorobenzene?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonylethenyl]-1,4-difluorobenzene is C=C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonylethenyl]-1,4-difluorobenzene?
The InChIKey is RMPSAKFDHYAEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O2S/c1-9(13-8-11(16)4-7-14(13)17)20(18,19)12-5-2-10(15)3-6-12/h2-8H,1H2.
What are the key properties of 2-[1-(4-chlorophenyl)sulfonylethenyl]-1,4-difluorobenzene?
2-[1-(4-chlorophenyl)sulfonylethenyl]-1,4-difluorobenzene has a molecular weight of 314.74 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonylethenyl]-1,4-difluorobenzene is sourced from PubChem (CID 11529749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).