1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine

C12H16FNO3S — CID 849991

IUPAC1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H16FNO3S/c1-17-11-6-5-10(13)9-12(11)18(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyQGGIELCYOJBGSB-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.01
Rot. Bonds3

About 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine

1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine (PubChem CID 849991) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
PubChem CID849991
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H16FNO3S/c1-17-11-6-5-10(13)9-12(11)18(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyQGGIELCYOJBGSB-UHFFFAOYSA-N
XLogP2.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
cyclobutyl-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818774
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085531
1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 935087
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 17018156
(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide
CID 125043565
1-benzyl-4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazine
CID 6499746
3,5-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 4874945
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 6457843
1-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817351
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 39382905

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine (CID 849991) is 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine is COc1ccc(F)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine?
The InChIKey is QGGIELCYOJBGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-17-11-6-5-10(13)9-12(11)18(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine?
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine has a molecular weight of 273.33 g/mol, XLogP of 2.01, 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)sulfonylpiperidine is sourced from PubChem (CID 849991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).