2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide

C12H16F3N3O2S — CID 106056268

IUPAC2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C12H16F3N3O2S/c13-8-5-10(14)12(15)11(6-8)17-21(19,20)18-4-2-1-3-9(18)7-16/h5-6,9,17H,1-4,7,16H2
InChIKeyADRKUGYGELWWTA-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.57
Rot. Bonds4

About 2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide

2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide (PubChem CID 106056268) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide
PubChem CID106056268
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC Name2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C12H16F3N3O2S/c13-8-5-10(14)12(15)11(6-8)17-21(19,20)18-4-2-1-3-9(18)7-16/h5-6,9,17H,1-4,7,16H2
InChIKeyADRKUGYGELWWTA-UHFFFAOYSA-N
XLogP1.57
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 106087812
[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969331
2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide
CID 106090138
2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide
CID 106057730
2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide
CID 106089660
2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide
CID 106030556
[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
CID 106048934
2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide
CID 115409106
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969291
[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969346
[1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969412

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide (CID 106056268) is 2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide is NCC1CCCCN1S(=O)(=O)Nc1cc(F)cc(F)c1F.
What is the InChIKey of 2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide?
The InChIKey is ADRKUGYGELWWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c13-8-5-10(14)12(15)11(6-8)17-21(19,20)18-4-2-1-3-9(18)7-16/h5-6,9,17H,1-4,7,16H2.
What are the key properties of 2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide has a molecular weight of 323.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106056268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).