1-[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-chlorobenzene

C15H9ClF4O2S — CID 15544521

IUPAC1-[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-chlorobenzene
SMILESO=S(=O)(/C(F)=C(/c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H9ClF4O2S/c16-11-8-6-10(7-9-11)13(15(18,19)20)14(17)23(21,22)12-4-2-1-3-5-12/h1-9H/b14-13-
InChIKeyPXHNHPVTYDANDA-YPKPFQOOSA-N
MW364.75 g/mol
LogP5.01
Rot. Bonds3

About 1-[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-chlorobenzene

1-[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-chlorobenzene (PubChem CID 15544521) has the molecular formula C15H9ClF4O2S and a molecular weight of 364.75 g/mol. Its IUPAC name is 1-[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-chlorobenzene
PubChem CID15544521
Molecular FormulaC15H9ClF4O2S
Molecular Weight364.75 g/mol
Exact Mass363.99
IUPAC Name1-[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-chlorobenzene
SMILESO=S(=O)(/C(F)=C(/c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H9ClF4O2S/c16-11-8-6-10(7-9-11)13(15(18,19)20)14(17)23(21,22)12-4-2-1-3-5-12/h1-9H/b14-13-
InChIKeyPXHNHPVTYDANDA-YPKPFQOOSA-N
XLogP5.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.75
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-chlorobenzene 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

1-Chloro-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 9927594
p-Chlorobenzyl-p-chlorophenyl sulfone
CID 96162
1-(Benzenesulfinylmethyl)-4-chlorobenzene
CID 228204
2-(1-(4-Chlorophenylsulfonyl)-2-methylpropyl)-1,4-difluorobenzene
CID 9906160
2-(1-(4-Chlorophenylsulfonyl)cyclohexyl)-1,4-difluorobenzene
CID 9929326
Rac-1-chloro-2-(4-(2-fluoropropan-2-yl)phenylsulfonyl)benzene
CID 11565865
1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene
CID 13433971
4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-1,2-dichlorobenzene
CID 44138127
Benzene, 2,4-dichloro-1-[(1Z)-2-chloro-2-(phenylsulfonyl)ethenyl]-
CID 44593044
2-(((4-Chlorophenyl)sulfonyl)methyl)-1,4-difluorobenzene
CID 9901028
1-[(4-Chlorophenyl)sulfonylmethyl]-4-(trifluoromethyl)benzene
CID 2743788
(E)-1-Chloro-4-(2-tosylvinyl)benzene
CID 10979228

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-chlorobenzene?
The IUPAC name of 1-[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-chlorobenzene (CID 15544521) is 1-[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-chlorobenzene.
What is the SMILES notation for 1-[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-chlorobenzene?
The canonical SMILES for 1-[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-chlorobenzene is O=S(=O)(/C(F)=C(/c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1-[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-chlorobenzene?
The InChIKey is PXHNHPVTYDANDA-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H9ClF4O2S/c16-11-8-6-10(7-9-11)13(15(18,19)20)14(17)23(21,22)12-4-2-1-3-5-12/h1-9H/b14-13-.
What are the key properties of 1-[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-chlorobenzene?
1-[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-chlorobenzene has a molecular weight of 364.75 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-chlorobenzene is sourced from PubChem (CID 15544521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).