[4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol

C15H21F2NO4S — CID 68722527

IUPAC[4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol
SMILESCOc1cc(C)c(S(=O)(=O)N2CCC(F)(F)CC2CO)c(C)c1
InChIInChI=1S/C15H21F2NO4S/c1-10-6-13(22-3)7-11(2)14(10)23(20,21)18-5-4-15(16,17)8-12(18)9-19/h6-7,12,19H,4-5,8-9H2,1-3H3
InChIKeyNUMABMWSSMZICJ-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.09
Rot. Bonds4

About [4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol

[4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol (PubChem CID 68722527) has the molecular formula C15H21F2NO4S and a molecular weight of 349.40 g/mol. Its IUPAC name is [4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol
PubChem CID68722527
Molecular FormulaC15H21F2NO4S
Molecular Weight349.40 g/mol
Exact Mass349.12
IUPAC Name[4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol
SMILESCOc1cc(C)c(S(=O)(=O)N2CCC(F)(F)CC2CO)c(C)c1
InChIInChI=1S/C15H21F2NO4S/c1-10-6-13(22-3)7-11(2)14(10)23(20,21)18-5-4-15(16,17)8-12(18)9-19/h6-7,12,19H,4-5,8-9H2,1-3H3
InChIKeyNUMABMWSSMZICJ-UHFFFAOYSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol?
The IUPAC name of [4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol (CID 68722527) is [4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol is COc1cc(C)c(S(=O)(=O)N2CCC(F)(F)CC2CO)c(C)c1.
What is the InChIKey of [4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol?
The InChIKey is NUMABMWSSMZICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO4S/c1-10-6-13(22-3)7-11(2)14(10)23(20,21)18-5-4-15(16,17)8-12(18)9-19/h6-7,12,19H,4-5,8-9H2,1-3H3.
What are the key properties of [4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol?
[4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol has a molecular weight of 349.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 68722527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).