[(2R)-1,1-bis(benzenesulfonyl)-1-fluoropropan-2-yl]benzene

C21H19FO4S2 — CID 16748421

IUPAC[(2R)-1,1-bis(benzenesulfonyl)-1-fluoropropan-2-yl]benzene
SMILESC[C@H](c1ccccc1)C(F)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H19FO4S2/c1-17(18-11-5-2-6-12-18)21(22,27(23,24)19-13-7-3-8-14-19)28(25,26)20-15-9-4-10-16-20/h2-17H,1H3/t17-/m1/s1
InChIKeyKGUVBCURXKXRGC-QGZVFWFLSA-N
MW418.51 g/mol
LogP4.36
Rot. Bonds6

About [(2R)-1,1-bis(benzenesulfonyl)-1-fluoropropan-2-yl]benzene

[(2R)-1,1-bis(benzenesulfonyl)-1-fluoropropan-2-yl]benzene (PubChem CID 16748421) has the molecular formula C21H19FO4S2 and a molecular weight of 418.51 g/mol. Its IUPAC name is [(2R)-1,1-bis(benzenesulfonyl)-1-fluoropropan-2-yl]benzene.

Molecular Properties

Compound Name[(2R)-1,1-bis(benzenesulfonyl)-1-fluoropropan-2-yl]benzene
PubChem CID16748421
Molecular FormulaC21H19FO4S2
Molecular Weight418.51 g/mol
Exact Mass418.07
IUPAC Name[(2R)-1,1-bis(benzenesulfonyl)-1-fluoropropan-2-yl]benzene
SMILESC[C@H](c1ccccc1)C(F)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H19FO4S2/c1-17(18-11-5-2-6-12-18)21(22,27(23,24)19-13-7-3-8-14-19)28(25,26)20-15-9-4-10-16-20/h2-17H,1H3/t17-/m1/s1
InChIKeyKGUVBCURXKXRGC-QGZVFWFLSA-N
XLogP4.36
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1'-(1,1-Cyclopentanediyldisulfonyl)bis(4-methylbenzene)
CID 1380164
4,4'-(Cyclopropanedisulfonyl)bis(methylbenzene)
CID 1897336
1-(4-Fluorophenyl)-2-[4-(methylsulfonyl)phenyl]benzene
CID 9905412
1,2-Difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene
CID 10546567
1,2-Difluoro-4-(4-methylphenyl)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10832238
(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
p,p'-Dicumylsulfone
CID 93843
(4-tert-Butylphenyl)diphenylsulfonium triflate
CID 2783197
(2-(4-(Methylsulfonyl)phenyl)hex-1-ene-1,1-diyl)dibenzene
CID 10408088
1-((Z)-1,2-Diphenyl-oct-1-enyl)-4-methanesulfonyl-benzene
CID 11247111

Frequently Asked Questions

What is the IUPAC name of [(2R)-1,1-bis(benzenesulfonyl)-1-fluoropropan-2-yl]benzene?
The IUPAC name of [(2R)-1,1-bis(benzenesulfonyl)-1-fluoropropan-2-yl]benzene (CID 16748421) is [(2R)-1,1-bis(benzenesulfonyl)-1-fluoropropan-2-yl]benzene.
What is the SMILES notation for [(2R)-1,1-bis(benzenesulfonyl)-1-fluoropropan-2-yl]benzene?
The canonical SMILES for [(2R)-1,1-bis(benzenesulfonyl)-1-fluoropropan-2-yl]benzene is C[C@H](c1ccccc1)C(F)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R)-1,1-bis(benzenesulfonyl)-1-fluoropropan-2-yl]benzene?
The InChIKey is KGUVBCURXKXRGC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19FO4S2/c1-17(18-11-5-2-6-12-18)21(22,27(23,24)19-13-7-3-8-14-19)28(25,26)20-15-9-4-10-16-20/h2-17H,1H3/t17-/m1/s1.
What are the key properties of [(2R)-1,1-bis(benzenesulfonyl)-1-fluoropropan-2-yl]benzene?
[(2R)-1,1-bis(benzenesulfonyl)-1-fluoropropan-2-yl]benzene has a molecular weight of 418.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,1-bis(benzenesulfonyl)-1-fluoropropan-2-yl]benzene is sourced from PubChem (CID 16748421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).