5,5-bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol

C23H23FO5S2 — CID 135070954

IUPAC5,5-bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol
SMILESCC(O)CC(c1ccccc1)C(F)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23FO5S2/c1-18(25)17-22(19-11-5-2-6-12-19)23(24,30(26,27)20-13-7-3-8-14-20)31(28,29)21-15-9-4-10-16-21/h2-16,18,22,25H,17H2,1H3
InChIKeyZOXJOYCKYCUHGN-UHFFFAOYSA-N
MW462.56 g/mol
LogP4.11
Rot. Bonds8

About 5,5-bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol

5,5-bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol (PubChem CID 135070954) has the molecular formula C23H23FO5S2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 5,5-bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol.

Molecular Properties

Compound Name5,5-bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol
PubChem CID135070954
Molecular FormulaC23H23FO5S2
Molecular Weight462.56 g/mol
Exact Mass462.10
IUPAC Name5,5-bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol
SMILESCC(O)CC(c1ccccc1)C(F)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23FO5S2/c1-18(25)17-22(19-11-5-2-6-12-19)23(24,30(26,27)20-13-7-3-8-14-20)31(28,29)21-15-9-4-10-16-21/h2-16,18,22,25H,17H2,1H3
InChIKeyZOXJOYCKYCUHGN-UHFFFAOYSA-N
XLogP4.11
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,6-Bis(4-fluorophenyl)-5-(4-methylsulfonylphenyl)hex-5-en-1-ol
CID 155568868
5,5-Bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol
CID 155519218
4-(4-Methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol
CID 155541121
5-(4-Methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
CID 155552943
[(2R)-1,1-bis(benzenesulfonyl)-1-fluoropropan-2-yl]benzene
CID 16748421
(E)-1,1-bis(benzenesulfonyl)-1-fluoro-4-phenylbut-3-en-2-ol
CID 54762908
(3S)-4,4-bis(benzenesulfonyl)-4-fluoro-3-phenylbutan-1-ol
CID 101481379
(3R)-3-[bis(benzenesulfonyl)-fluoromethyl]hexan-1-ol
CID 101483657
(3S)-4,4-bis(benzenesulfonyl)-3-(4-bromophenyl)-4-fluorobutan-1-ol
CID 101483660
(3S)-4,4-bis(benzenesulfonyl)-4-fluoro-3-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 101483661
2,2-Bis(benzenesulfonyl)-2-fluoro-1-(4-methylphenyl)ethanol
CID 101783921
2,2-Bis(benzenesulfonyl)-2-fluoro-1-phenylethanol
CID 101783927

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol?
The IUPAC name of 5,5-bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol (CID 135070954) is 5,5-bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol.
What is the SMILES notation for 5,5-bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol?
The canonical SMILES for 5,5-bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol is CC(O)CC(c1ccccc1)C(F)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 5,5-bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol?
The InChIKey is ZOXJOYCKYCUHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FO5S2/c1-18(25)17-22(19-11-5-2-6-12-19)23(24,30(26,27)20-13-7-3-8-14-20)31(28,29)21-15-9-4-10-16-21/h2-16,18,22,25H,17H2,1H3.
What are the key properties of 5,5-bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol?
5,5-bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol has a molecular weight of 462.56 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol is sourced from PubChem (CID 135070954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).