1-(4-chloro-2-fluorophenyl)sulfonylpiperidine

C11H13ClFNO2S — CID 60639529

IUPAC1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Cl)cc1F)N1CCCCC1
InChIInChI=1S/C11H13ClFNO2S/c12-9-4-5-11(10(13)8-9)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
InChIKeyZOQLMCPSVMLJGT-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.65
Rot. Bonds2

About 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine

1-(4-chloro-2-fluorophenyl)sulfonylpiperidine (PubChem CID 60639529) has the molecular formula C11H13ClFNO2S and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
PubChem CID60639529
Molecular FormulaC11H13ClFNO2S
Molecular Weight277.75 g/mol
Exact Mass277.03
IUPAC Name1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Cl)cc1F)N1CCCCC1
InChIInChI=1S/C11H13ClFNO2S/c12-9-4-5-11(10(13)8-9)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
InChIKeyZOQLMCPSVMLJGT-UHFFFAOYSA-N
XLogP2.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63844683
1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43394316
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
1-(2,3,4-trifluorophenyl)sulfonylpiperidine
CID 60639503
1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 55352164
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carbaldehyde
CID 63845886
4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 26978979
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 18086440
(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79410117
1-(4-chloro-2-nitrophenyl)sulfonylpiperidine
CID 47157093
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
1-(4-chloro-2-fluorophenyl)sulfonylazepane-2-carboxylic acid
CID 64559200

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine (CID 60639529) is 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(Cl)cc1F)N1CCCCC1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine?
The InChIKey is ZOQLMCPSVMLJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2S/c12-9-4-5-11(10(13)8-9)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine?
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine has a molecular weight of 277.75 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 60639529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).