[1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol

C24H23F2NO3S — CID 14407073

IUPAC[1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol
SMILESO=S(=O)(c1ccccc1)N1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H23F2NO3S/c25-21-10-6-18(7-11-21)24(28,19-8-12-22(26)13-9-19)20-14-16-27(17-15-20)31(29,30)23-4-2-1-3-5-23/h1-13,20,28H,14-17H2
InChIKeyDSYDHOCJESYUDE-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.30
Rot. Bonds5

About [1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol

[1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol (PubChem CID 14407073) has the molecular formula C24H23F2NO3S and a molecular weight of 443.52 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol
PubChem CID14407073
Molecular FormulaC24H23F2NO3S
Molecular Weight443.52 g/mol
Exact Mass443.14
IUPAC Name[1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol
SMILESO=S(=O)(c1ccccc1)N1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H23F2NO3S/c25-21-10-6-18(7-11-21)24(28,19-8-12-22(26)13-9-19)20-14-16-27(17-15-20)31(29,30)23-4-2-1-3-5-23/h1-13,20,28H,14-17H2
InChIKeyDSYDHOCJESYUDE-UHFFFAOYSA-N
XLogP4.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 4784925
4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride
CID 130224151
[1-(4-butoxyphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 3805662
N-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide
CID 175063377
4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919
N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 7809293
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589889
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
(2-fluorophenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 78777102

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol?
The IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol (CID 14407073) is [1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol is O=S(=O)(c1ccccc1)N1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol?
The InChIKey is DSYDHOCJESYUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO3S/c25-21-10-6-18(7-11-21)24(28,19-8-12-22(26)13-9-19)20-14-16-27(17-15-20)31(29,30)23-4-2-1-3-5-23/h1-13,20,28H,14-17H2.
What are the key properties of [1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol?
[1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol has a molecular weight of 443.52 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol is sourced from PubChem (CID 14407073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).