[4-(benzenesulfonyl)-4,4-difluorobuta-1,2-dienyl]benzene

C16H12F2O2S — CID 134838916

IUPAC[4-(benzenesulfonyl)-4,4-difluorobuta-1,2-dienyl]benzene
SMILESO=S(=O)(c1ccccc1)C(F)(F)C=C=Cc1ccccc1
InChIInChI=1S/C16H12F2O2S/c17-16(18,13-7-10-14-8-3-1-4-9-14)21(19,20)15-11-5-2-6-12-15/h1-6,8-13H
InChIKeyMPZLXMFQTALDDG-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.92
Rot. Bonds4

About [4-(benzenesulfonyl)-4,4-difluorobuta-1,2-dienyl]benzene

[4-(benzenesulfonyl)-4,4-difluorobuta-1,2-dienyl]benzene (PubChem CID 134838916) has the molecular formula C16H12F2O2S and a molecular weight of 306.33 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-4,4-difluorobuta-1,2-dienyl]benzene.

Molecular Properties

Compound Name[4-(benzenesulfonyl)-4,4-difluorobuta-1,2-dienyl]benzene
PubChem CID134838916
Molecular FormulaC16H12F2O2S
Molecular Weight306.33 g/mol
Exact Mass306.05
IUPAC Name[4-(benzenesulfonyl)-4,4-difluorobuta-1,2-dienyl]benzene
SMILESO=S(=O)(c1ccccc1)C(F)(F)C=C=Cc1ccccc1
InChIInChI=1S/C16H12F2O2S/c17-16(18,13-7-10-14-8-3-1-4-9-14)21(19,20)15-11-5-2-6-12-15/h1-6,8-13H
InChIKeyMPZLXMFQTALDDG-UHFFFAOYSA-N
XLogP3.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

SC-57666
CID 443373
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
Dibenzyl sulfone
CID 69282
Phenyl trans-Styryl Sulfone
CID 736143
1-Fluoro-4-(phenylsulphonyl)benzene
CID 67556
Benzyl phenyl sulfoxide
CID 239581
1,3,5-Trimethyl-2-(4-methylphenyl)sulfonylbenzene
CID 272513
((3-Phenylpropyl)sulfonyl)benzene
CID 97180

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)-4,4-difluorobuta-1,2-dienyl]benzene?
The IUPAC name of [4-(benzenesulfonyl)-4,4-difluorobuta-1,2-dienyl]benzene (CID 134838916) is [4-(benzenesulfonyl)-4,4-difluorobuta-1,2-dienyl]benzene.
What is the SMILES notation for [4-(benzenesulfonyl)-4,4-difluorobuta-1,2-dienyl]benzene?
The canonical SMILES for [4-(benzenesulfonyl)-4,4-difluorobuta-1,2-dienyl]benzene is O=S(=O)(c1ccccc1)C(F)(F)C=C=Cc1ccccc1.
What is the InChIKey of [4-(benzenesulfonyl)-4,4-difluorobuta-1,2-dienyl]benzene?
The InChIKey is MPZLXMFQTALDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O2S/c17-16(18,13-7-10-14-8-3-1-4-9-14)21(19,20)15-11-5-2-6-12-15/h1-6,8-13H.
What are the key properties of [4-(benzenesulfonyl)-4,4-difluorobuta-1,2-dienyl]benzene?
[4-(benzenesulfonyl)-4,4-difluorobuta-1,2-dienyl]benzene has a molecular weight of 306.33 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)-4,4-difluorobuta-1,2-dienyl]benzene is sourced from PubChem (CID 134838916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).