1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine

C12H15ClFNO2S — CID 697831

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H15ClFNO2S/c1-9-4-6-15(7-5-9)18(16,17)10-2-3-12(14)11(13)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyKIZHLSJJUPKQBN-UHFFFAOYSA-N
MW291.77 g/mol
LogP2.90
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine

1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine (PubChem CID 697831) has the molecular formula C12H15ClFNO2S and a molecular weight of 291.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
PubChem CID697831
Molecular FormulaC12H15ClFNO2S
Molecular Weight291.77 g/mol
Exact Mass291.05
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H15ClFNO2S/c1-9-4-6-15(7-5-9)18(16,17)10-2-3-12(14)11(13)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyKIZHLSJJUPKQBN-UHFFFAOYSA-N
XLogP2.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.77
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
(3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 92865667
1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine
CID 23820476
4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2938439
1-(3-chloro-4-fluorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63872347
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030275
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372226
1-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264060
(3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79411226
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 31814418
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine (CID 697831) is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine is CC1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine?
The InChIKey is KIZHLSJJUPKQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2S/c1-9-4-6-15(7-5-9)18(16,17)10-2-3-12(14)11(13)8-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine?
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine has a molecular weight of 291.77 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine is sourced from PubChem (CID 697831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).