4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine

C14H19F2NO2S — CID 178050421

IUPAC4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(F)(F)CC2)cc1
InChIInChI=1S/C14H19F2NO2S/c1-11(2)12-3-5-13(6-4-12)20(18,19)17-9-7-14(15,16)8-10-17/h3-6,11H,7-10H2,1-2H3
InChIKeyJBDQLZVQRDINKH-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.23
Rot. Bonds3

About 4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine

4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine (PubChem CID 178050421) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is 4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine
PubChem CID178050421
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC Name4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(F)(F)CC2)cc1
InChIInChI=1S/C14H19F2NO2S/c1-11(2)12-3-5-13(6-4-12)20(18,19)17-9-7-14(15,16)8-10-17/h3-6,11H,7-10H2,1-2H3
InChIKeyJBDQLZVQRDINKH-UHFFFAOYSA-N
XLogP3.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 110708840
4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 66921149
4-(4-propan-2-ylphenyl)sulfonyl-1,4-thiazepane
CID 86992430
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid
CID 119134269
1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 17267165
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol
CID 55177243
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine
CID 65244701
(1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266651

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine?
The IUPAC name of 4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine (CID 178050421) is 4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine?
The canonical SMILES for 4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine is CC(C)c1ccc(S(=O)(=O)N2CCC(F)(F)CC2)cc1.
What is the InChIKey of 4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine?
The InChIKey is JBDQLZVQRDINKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-11(2)12-3-5-13(6-4-12)20(18,19)17-9-7-14(15,16)8-10-17/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine?
4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine has a molecular weight of 303.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine is sourced from PubChem (CID 178050421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).