1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-methylpiperidine

C13H18FNO3S — CID 3154503

IUPAC1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-methylpiperidine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H18FNO3S/c1-10-4-3-7-15(9-10)19(16,17)13-8-11(14)5-6-12(13)18-2/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyZINNNXKUUJCPFV-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.25
Rot. Bonds3

About 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-methylpiperidine

1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-methylpiperidine (PubChem CID 3154503) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-methylpiperidine
PubChem CID3154503
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-methylpiperidine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H18FNO3S/c1-10-4-3-7-15(9-10)19(16,17)13-8-11(14)5-6-12(13)18-2/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyZINNNXKUUJCPFV-UHFFFAOYSA-N
XLogP2.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methoxy-benzenesulfonyl)-2-methyl-piperidine
CID 2843045
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
CID 715058
1-((p-Methoxyphenyl)sulfonyl)piperidine
CID 247209
1'-((4-(Difluoromethoxy)phenyl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308421
1-[1-[4-(Difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine
CID 118314260
1-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-piperidine
CID 646254
1-[(2,5-Dimethoxyphenyl)sulfonyl]-2,6-dimethylpiperidine
CID 2896830
1-(1-Adamantyl)-4-(4-fluoro-2-methoxyphenyl)sulfonylpiperazine
CID 2951004
1-(2,5-Dimethoxy-benzenesulfonyl)-3-methyl-piperidine
CID 3132625
1-(2-Methoxy-5-methylphenyl)sulfonylazepane
CID 775522
1-(4-Butoxyphenyl)sulfonylpiperidine
CID 2054877
1-(2,5-Diethoxyphenyl)sulfonylpiperidine
CID 647069

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-methylpiperidine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-methylpiperidine (CID 3154503) is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-methylpiperidine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-methylpiperidine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-methylpiperidine is COc1ccc(F)cc1S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-methylpiperidine?
The InChIKey is ZINNNXKUUJCPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-10-4-3-7-15(9-10)19(16,17)13-8-11(14)5-6-12(13)18-2/h5-6,8,10H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-methylpiperidine?
1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-methylpiperidine has a molecular weight of 287.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-methylpiperidine is sourced from PubChem (CID 3154503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).