[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]benzene

C23H19FO4S2 — CID 135062248

IUPAC[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]benzene
SMILESO=S(=O)(c1ccccc1)C(F)(CC=C=Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H19FO4S2/c24-23(29(25,26)21-15-6-2-7-16-21,30(27,28)22-17-8-3-9-18-22)19-11-10-14-20-12-4-1-5-13-20/h1-9,11-18H,19H2
InChIKeyVWRAHDNHIPMNBM-UHFFFAOYSA-N
MW442.53 g/mol
LogP4.82
Rot. Bonds7

About [5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]benzene

[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]benzene (PubChem CID 135062248) has the molecular formula C23H19FO4S2 and a molecular weight of 442.53 g/mol. Its IUPAC name is [5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]benzene.

Molecular Properties

Compound Name[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]benzene
PubChem CID135062248
Molecular FormulaC23H19FO4S2
Molecular Weight442.53 g/mol
Exact Mass442.07
IUPAC Name[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]benzene
SMILESO=S(=O)(c1ccccc1)C(F)(CC=C=Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H19FO4S2/c24-23(29(25,26)21-15-6-2-7-16-21,30(27,28)22-17-8-3-9-18-22)19-11-10-14-20-12-4-1-5-13-20/h1-9,11-18H,19H2
InChIKeyVWRAHDNHIPMNBM-UHFFFAOYSA-N
XLogP4.82
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
((3-Phenylpropyl)sulfonyl)benzene
CID 97180
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
Ditosylmethane
CID 275690
Alpha,alpha-bis(phenylthio)toluene
CID 608010
1-Methyl-4-[2-(4-methylphenyl)sulfonylethenylsulfonyl]benzene
CID 284471
1,1'-(1,1-Cyclopentanediyldisulfonyl)bis(4-methylbenzene)
CID 1380164
(4-Methylphenyl){3-[(4-methylphenyl)sulfonyl]propyl}dioxo-lambda~6~-sulfane
CID 1483198
4,4'-(Cyclopropanedisulfonyl)bis(methylbenzene)
CID 1897336
(E)-2,4-difluoro-1-(4-(phenylsulfonyl)styryl)benzene
CID 16739334
2,4-Difluoro-1-(4-(phenylsulfonyl)phenethyl)benzene
CID 21099424
[2-(Benzenesulfonyl)-1-phenylethenyl]benzene
CID 822356

Frequently Asked Questions

What is the IUPAC name of [5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]benzene?
The IUPAC name of [5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]benzene (CID 135062248) is [5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]benzene.
What is the SMILES notation for [5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]benzene?
The canonical SMILES for [5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]benzene is O=S(=O)(c1ccccc1)C(F)(CC=C=Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]benzene?
The InChIKey is VWRAHDNHIPMNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FO4S2/c24-23(29(25,26)21-15-6-2-7-16-21,30(27,28)22-17-8-3-9-18-22)19-11-10-14-20-12-4-1-5-13-20/h1-9,11-18H,19H2.
What are the key properties of [5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]benzene?
[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]benzene has a molecular weight of 442.53 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]benzene is sourced from PubChem (CID 135062248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).