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

C15H10F4O2S — CID 15544524

IUPAC[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]benzene
SMILESO=S(=O)(/C(F)=C(/c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H10F4O2S/c16-14(22(20,21)12-9-5-2-6-10-12)13(15(17,18)19)11-7-3-1-4-8-11/h1-10H/b14-13-
InChIKeyRCZGDWNEMZMLDN-YPKPFQOOSA-N
MW330.30 g/mol
LogP4.36
Rot. Bonds3

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

[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]benzene (PubChem CID 15544524) has the molecular formula C15H10F4O2S and a molecular weight of 330.30 g/mol. Its IUPAC name is [(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]benzene
PubChem CID15544524
Molecular FormulaC15H10F4O2S
Molecular Weight330.30 g/mol
Exact Mass330.03
IUPAC Name[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]benzene
SMILESO=S(=O)(/C(F)=C(/c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H10F4O2S/c16-14(22(20,21)12-9-5-2-6-10-12)13(15(17,18)19)11-7-3-1-4-8-11/h1-10H/b14-13-
InChIKeyRCZGDWNEMZMLDN-YPKPFQOOSA-N
XLogP4.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

SC-57666
CID 443373
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
Phenyl trans-Styryl Sulfone
CID 736143
Benzyl phenyl sulfoxide
CID 239581
2,3,5,6-Tetrafluoro-4-[(2-phenylethyl)thio]benzenesulfonamide
CID 71584331
((3-Phenylpropyl)sulfonyl)benzene
CID 97180
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
1-[2-(4-Methylsulfonylphenyl)-1-cyclopentenyl]-4-trifluoromethylbenzene
CID 9947309
1-Fluoro-4-[2-(4-methylsulfonylphenyl)-4,4-di(trifluoromethyl)-1-cyclopentenyl]benzene
CID 10095369

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]benzene?
The IUPAC name of [(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]benzene (CID 15544524) is [(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]benzene.
What is the SMILES notation for [(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]benzene?
The canonical SMILES for [(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]benzene is O=S(=O)(/C(F)=C(/c1ccccc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of [(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]benzene?
The InChIKey is RCZGDWNEMZMLDN-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H10F4O2S/c16-14(22(20,21)12-9-5-2-6-10-12)13(15(17,18)19)11-7-3-1-4-8-11/h1-10H/b14-13-.
What are the key properties of [(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]benzene?
[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]benzene has a molecular weight of 330.30 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]benzene is sourced from PubChem (CID 15544524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).