phenyl (3R)-3-(trifluoromethyl)piperidine-1-sulfonate

C12H14F3NO3S — CID 7792672

IUPACphenyl (3R)-3-(trifluoromethyl)piperidine-1-sulfonate
SMILESO=S(=O)(Oc1ccccc1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H14F3NO3S/c13-12(14,15)10-5-4-8-16(9-10)20(17,18)19-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2/t10-/m1/s1
InChIKeyWXNSMFHLPMUGQO-SNVBAGLBSA-N
MW309.31 g/mol
LogP2.58
Rot. Bonds3

About phenyl (3R)-3-(trifluoromethyl)piperidine-1-sulfonate

phenyl (3R)-3-(trifluoromethyl)piperidine-1-sulfonate (PubChem CID 7792672) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is phenyl (3R)-3-(trifluoromethyl)piperidine-1-sulfonate.

Molecular Properties

Compound Namephenyl (3R)-3-(trifluoromethyl)piperidine-1-sulfonate
PubChem CID7792672
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC Namephenyl (3R)-3-(trifluoromethyl)piperidine-1-sulfonate
SMILESO=S(=O)(Oc1ccccc1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H14F3NO3S/c13-12(14,15)10-5-4-8-16(9-10)20(17,18)19-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2/t10-/m1/s1
InChIKeyWXNSMFHLPMUGQO-SNVBAGLBSA-N
XLogP2.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze phenyl (3R)-3-(trifluoromethyl)piperidine-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine
CID 2082096
1-methylsulfonyl-3-(trifluoromethyl)piperidine
CID 3646972
1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 2928083
4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 61126081
3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine
CID 103299373
1-(2-tert-butyl-4-methylphenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 70913404
4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47006010
1-(2-bromo-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 61060723
1-(4-bromo-2-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 116528215
4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine
CID 94018194
4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine
CID 94018195
2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 170459185

Frequently Asked Questions

What is the IUPAC name of phenyl (3R)-3-(trifluoromethyl)piperidine-1-sulfonate?
The IUPAC name of phenyl (3R)-3-(trifluoromethyl)piperidine-1-sulfonate (CID 7792672) is phenyl (3R)-3-(trifluoromethyl)piperidine-1-sulfonate.
What is the SMILES notation for phenyl (3R)-3-(trifluoromethyl)piperidine-1-sulfonate?
The canonical SMILES for phenyl (3R)-3-(trifluoromethyl)piperidine-1-sulfonate is O=S(=O)(Oc1ccccc1)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of phenyl (3R)-3-(trifluoromethyl)piperidine-1-sulfonate?
The InChIKey is WXNSMFHLPMUGQO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c13-12(14,15)10-5-4-8-16(9-10)20(17,18)19-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2/t10-/m1/s1.
What are the key properties of phenyl (3R)-3-(trifluoromethyl)piperidine-1-sulfonate?
phenyl (3R)-3-(trifluoromethyl)piperidine-1-sulfonate has a molecular weight of 309.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (3R)-3-(trifluoromethyl)piperidine-1-sulfonate is sourced from PubChem (CID 7792672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).