1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine

C12H15F2NO2S — CID 3701058

IUPAC1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO2S/c1-9-4-2-3-7-15(9)18(16,17)10-5-6-11(13)12(14)8-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyOJRLVQYJZDVURD-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.53
Rot. Bonds2

About 1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine

1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine (PubChem CID 3701058) has the molecular formula C12H15F2NO2S and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
PubChem CID3701058
Molecular FormulaC12H15F2NO2S
Molecular Weight275.32 g/mol
Exact Mass275.08
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO2S/c1-9-4-2-3-7-15(9)18(16,17)10-5-6-11(13)12(14)8-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyOJRLVQYJZDVURD-UHFFFAOYSA-N
XLogP2.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60974394
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine (CID 3701058) is 1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine is CC1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine?
The InChIKey is OJRLVQYJZDVURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2S/c1-9-4-2-3-7-15(9)18(16,17)10-5-6-11(13)12(14)8-10/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine?
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine has a molecular weight of 275.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 3701058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).