1-(2,4-difluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine

C18H19F2NO3S — CID 2728126

IUPAC1-(2,4-difluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine
SMILESCOc1ccccc1C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H19F2NO3S/c1-24-17-5-3-2-4-15(17)13-8-10-21(11-9-13)25(22,23)18-7-6-14(19)12-16(18)20/h2-7,12-13H,8-11H2,1H3
InChIKeyFERCFOCPHAOWBF-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.54
Rot. Bonds4

About 1-(2,4-difluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine

1-(2,4-difluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine (PubChem CID 2728126) has the molecular formula C18H19F2NO3S and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine
PubChem CID2728126
Molecular FormulaC18H19F2NO3S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine
SMILESCOc1ccccc1C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H19F2NO3S/c1-24-17-5-3-2-4-15(17)13-8-10-21(11-9-13)25(22,23)18-7-6-14(19)12-16(18)20/h2-7,12-13H,8-11H2,1H3
InChIKeyFERCFOCPHAOWBF-UHFFFAOYSA-N
XLogP3.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 71454999
4-fluoro-N-[1-[3-(2-propan-2-ylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
CID 145974189
3,4-difluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 11857639
3-(difluoromethoxy)-N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 11857794
(E)-1-(4-methoxyphenylsulfonyl)-4-phenyl-2,3,6,7-tetrahydro-1H-azepine
CID 25193005
(E)-1-(4-methoxyphenylsulfonyl)-5-phenyl-2,3,4,7-tetrahydro-1H-azepine
CID 25193144
4-(difluoromethoxy)-N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 44426405
1-[1-[4-(2-Methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118314266
1-[1-[3-(2-Methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 141659837
N-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide
CID 164618773
4-Phenyl-1-[4-(trifluoromethoxy)benzenesulfonyl]piperidine-4-carbonitrile
CID 3857330
1-(3-Fluoro-4-methoxy-benzenesulfonyl)-4-((E)-3-phenyl-allyl)-piperazine
CID 6501571

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine (CID 2728126) is 1-(2,4-difluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine is COc1ccccc1C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine?
The InChIKey is FERCFOCPHAOWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3S/c1-24-17-5-3-2-4-15(17)13-8-10-21(11-9-13)25(22,23)18-7-6-14(19)12-16(18)20/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine?
1-(2,4-difluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine has a molecular weight of 367.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine is sourced from PubChem (CID 2728126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).