1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine

C11H13F3N2O2S — CID 43556384

IUPAC1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C11H13F3N2O2S/c12-8-1-2-9(11(14)10(8)13)19(17,18)16-5-3-7(15)4-6-16/h1-2,7H,3-6,15H2
InChIKeyCCJYOHKDCLPKBP-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.22
Rot. Bonds2

About 1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine

1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine (PubChem CID 43556384) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
PubChem CID43556384
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C11H13F3N2O2S/c12-8-1-2-9(11(14)10(8)13)19(17,18)16-5-3-7(15)4-6-16/h1-2,7H,3-6,15H2
InChIKeyCCJYOHKDCLPKBP-UHFFFAOYSA-N
XLogP1.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120712583
3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 120779666
1-(2,3,4-trifluorophenyl)sulfonylpiperidine
CID 60639503
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 79031400
(4aS,8aS)-2-(2,3,4-trifluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926596
1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120705953
1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine
CID 120705916
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120706957
[4-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-yl]methanamine
CID 114960919
(2,5-difluorophenyl)-[1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-yl]methanone
CID 71889854
(3S,4S)-4-hydroxy-1-(2,3,4-trifluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 135100519
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine
CID 115752093

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine (CID 43556384) is 1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine is NC1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine?
The InChIKey is CCJYOHKDCLPKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c12-8-1-2-9(11(14)10(8)13)19(17,18)16-5-3-7(15)4-6-16/h1-2,7H,3-6,15H2.
What are the key properties of 1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine?
1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine has a molecular weight of 294.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 43556384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).