6-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-sulfonamide

C13H17F3N2O2S — CID 106778827

IUPAC6-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCC(Cc2ccc(C(F)(F)F)cc2)NC1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)10-3-1-9(2-4-10)7-11-5-6-12(8-18-11)21(17,19)20/h1-4,11-12,18H,5-8H2,(H2,17,19,20)
InChIKeyIDMVGLWCZYQORS-UHFFFAOYSA-N
MW322.35 g/mol
LogP1.66
Rot. Bonds3

About 6-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-sulfonamide

6-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-sulfonamide (PubChem CID 106778827) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 6-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name6-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-sulfonamide
PubChem CID106778827
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name6-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCC(Cc2ccc(C(F)(F)F)cc2)NC1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)10-3-1-9(2-4-10)7-11-5-6-12(8-18-11)21(17,19)20/h1-4,11-12,18H,5-8H2,(H2,17,19,20)
InChIKeyIDMVGLWCZYQORS-UHFFFAOYSA-N
XLogP1.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 140514504
4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 106778831
ethyl 5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate;4-methylbenzenesulfonic acid
CID 171338374
ethyl (2R,5S)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate;4-methylbenzenesulfonic acid
CID 168719729
3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride
CID 47002379
4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 83261999
3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide
CID 65418983
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
2-[(2R,4S)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanoic acid
CID 69066214
4-[[4-(trifluoromethyl)phenyl]methyl]thiolan-3-one
CID 83197007

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-sulfonamide?
The IUPAC name of 6-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-sulfonamide (CID 106778827) is 6-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-sulfonamide.
What is the SMILES notation for 6-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-sulfonamide?
The canonical SMILES for 6-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-sulfonamide is NS(=O)(=O)C1CCC(Cc2ccc(C(F)(F)F)cc2)NC1.
What is the InChIKey of 6-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-sulfonamide?
The InChIKey is IDMVGLWCZYQORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c14-13(15,16)10-3-1-9(2-4-10)7-11-5-6-12(8-18-11)21(17,19)20/h1-4,11-12,18H,5-8H2,(H2,17,19,20).
What are the key properties of 6-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-sulfonamide?
6-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-sulfonamide has a molecular weight of 322.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-sulfonamide is sourced from PubChem (CID 106778827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).