[bis(benzenesulfonyl)-fluoromethyl]benzene

C19H15FO4S2 — CID 102474233

IUPAC[bis(benzenesulfonyl)-fluoromethyl]benzene
SMILESO=S(=O)(c1ccccc1)C(F)(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H15FO4S2/c20-19(16-10-4-1-5-11-16,25(21,22)17-12-6-2-7-13-17)26(23,24)18-14-8-3-9-15-18/h1-15H
InChIKeyOWDQLTOONRUPGY-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.71
Rot. Bonds5

About [bis(benzenesulfonyl)-fluoromethyl]benzene

[bis(benzenesulfonyl)-fluoromethyl]benzene (PubChem CID 102474233) has the molecular formula C19H15FO4S2 and a molecular weight of 390.46 g/mol. Its IUPAC name is [bis(benzenesulfonyl)-fluoromethyl]benzene.

Molecular Properties

Compound Name[bis(benzenesulfonyl)-fluoromethyl]benzene
PubChem CID102474233
Molecular FormulaC19H15FO4S2
Molecular Weight390.46 g/mol
Exact Mass390.04
IUPAC Name[bis(benzenesulfonyl)-fluoromethyl]benzene
SMILESO=S(=O)(c1ccccc1)C(F)(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H15FO4S2/c20-19(16-10-4-1-5-11-16,25(21,22)17-12-6-2-7-13-17)26(23,24)18-14-8-3-9-15-18/h1-15H
InChIKeyOWDQLTOONRUPGY-UHFFFAOYSA-N
XLogP3.71
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
Phenyl trans-Styryl Sulfone
CID 736143
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
Ditosylmethane
CID 275690
Sulfonium, triphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CID 11729320
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

Frequently Asked Questions

What is the IUPAC name of [bis(benzenesulfonyl)-fluoromethyl]benzene?
The IUPAC name of [bis(benzenesulfonyl)-fluoromethyl]benzene (CID 102474233) is [bis(benzenesulfonyl)-fluoromethyl]benzene.
What is the SMILES notation for [bis(benzenesulfonyl)-fluoromethyl]benzene?
The canonical SMILES for [bis(benzenesulfonyl)-fluoromethyl]benzene is O=S(=O)(c1ccccc1)C(F)(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [bis(benzenesulfonyl)-fluoromethyl]benzene?
The InChIKey is OWDQLTOONRUPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO4S2/c20-19(16-10-4-1-5-11-16,25(21,22)17-12-6-2-7-13-17)26(23,24)18-14-8-3-9-15-18/h1-15H.
What are the key properties of [bis(benzenesulfonyl)-fluoromethyl]benzene?
[bis(benzenesulfonyl)-fluoromethyl]benzene has a molecular weight of 390.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(benzenesulfonyl)-fluoromethyl]benzene is sourced from PubChem (CID 102474233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).