1,3-dichloro-5-[3-(4-fluorophenyl)sulfonylprop-1-en-2-yl]benzene

C15H11Cl2FO2S — CID 19891480

IUPAC1,3-dichloro-5-[3-(4-fluorophenyl)sulfonylprop-1-en-2-yl]benzene
SMILESC=C(CS(=O)(=O)c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl2FO2S/c1-10(11-6-12(16)8-13(17)7-11)9-21(19,20)15-4-2-14(18)3-5-15/h2-8H,1,9H2
InChIKeyXNVYJNNXCKLZER-UHFFFAOYSA-N
MW345.22 g/mol
LogP4.62
Rot. Bonds4

About 1,3-dichloro-5-[3-(4-fluorophenyl)sulfonylprop-1-en-2-yl]benzene

1,3-dichloro-5-[3-(4-fluorophenyl)sulfonylprop-1-en-2-yl]benzene (PubChem CID 19891480) has the molecular formula C15H11Cl2FO2S and a molecular weight of 345.22 g/mol. Its IUPAC name is 1,3-dichloro-5-[3-(4-fluorophenyl)sulfonylprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[3-(4-fluorophenyl)sulfonylprop-1-en-2-yl]benzene
PubChem CID19891480
Molecular FormulaC15H11Cl2FO2S
Molecular Weight345.22 g/mol
Exact Mass343.98
IUPAC Name1,3-dichloro-5-[3-(4-fluorophenyl)sulfonylprop-1-en-2-yl]benzene
SMILESC=C(CS(=O)(=O)c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl2FO2S/c1-10(11-6-12(16)8-13(17)7-11)9-21(19,20)15-4-2-14(18)3-5-15/h2-8H,1,9H2
InChIKeyXNVYJNNXCKLZER-UHFFFAOYSA-N
XLogP4.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[3-(4-fluorophenyl)sulfonylprop-1-en-2-yl]benzene?
The IUPAC name of 1,3-dichloro-5-[3-(4-fluorophenyl)sulfonylprop-1-en-2-yl]benzene (CID 19891480) is 1,3-dichloro-5-[3-(4-fluorophenyl)sulfonylprop-1-en-2-yl]benzene.
What is the SMILES notation for 1,3-dichloro-5-[3-(4-fluorophenyl)sulfonylprop-1-en-2-yl]benzene?
The canonical SMILES for 1,3-dichloro-5-[3-(4-fluorophenyl)sulfonylprop-1-en-2-yl]benzene is C=C(CS(=O)(=O)c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-[3-(4-fluorophenyl)sulfonylprop-1-en-2-yl]benzene?
The InChIKey is XNVYJNNXCKLZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2S/c1-10(11-6-12(16)8-13(17)7-11)9-21(19,20)15-4-2-14(18)3-5-15/h2-8H,1,9H2.
What are the key properties of 1,3-dichloro-5-[3-(4-fluorophenyl)sulfonylprop-1-en-2-yl]benzene?
1,3-dichloro-5-[3-(4-fluorophenyl)sulfonylprop-1-en-2-yl]benzene has a molecular weight of 345.22 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[3-(4-fluorophenyl)sulfonylprop-1-en-2-yl]benzene is sourced from PubChem (CID 19891480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).