1-(4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine

C12H13ClF3NO2S — CID 102449316

IUPAC1-(4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H13ClF3NO2S/c13-10-1-3-11(4-2-10)20(18,19)17-7-5-9(6-8-17)12(14,15)16/h1-4,9H,5-8H2
InChIKeyFSMKLTMBMAFXDQ-UHFFFAOYSA-N
MW327.76 g/mol
LogP3.30
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine

1-(4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine (PubChem CID 102449316) has the molecular formula C12H13ClF3NO2S and a molecular weight of 327.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine
PubChem CID102449316
Molecular FormulaC12H13ClF3NO2S
Molecular Weight327.76 g/mol
Exact Mass327.03
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H13ClF3NO2S/c13-10-1-3-11(4-2-10)20(18,19)17-7-5-9(6-8-17)12(14,15)16/h1-4,9H,5-8H2
InChIKeyFSMKLTMBMAFXDQ-UHFFFAOYSA-N
XLogP3.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine (CID 102449316) is 1-(4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine is O=S(=O)(c1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine?
The InChIKey is FSMKLTMBMAFXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO2S/c13-10-1-3-11(4-2-10)20(18,19)17-7-5-9(6-8-17)12(14,15)16/h1-4,9H,5-8H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine?
1-(4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine has a molecular weight of 327.76 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 102449316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).