[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride

C12H17ClF2N2O2S — CID 119969239

IUPAC[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2S.ClH/c13-9-4-5-12(11(14)7-9)19(17,18)16-6-2-1-3-10(16)8-15;/h4-5,7,10H,1-3,6,8,15H2;1H
InChIKeyWSFMKWCMBAGGLX-UHFFFAOYSA-N
MW326.80 g/mol
LogP1.89
Rot. Bonds3

About [1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride

[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride (PubChem CID 119969239) has the molecular formula C12H17ClF2N2O2S and a molecular weight of 326.80 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
PubChem CID119969239
Molecular FormulaC12H17ClF2N2O2S
Molecular Weight326.80 g/mol
Exact Mass326.07
IUPAC Name[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2S.ClH/c13-9-4-5-12(11(14)7-9)19(17,18)16-6-2-1-3-10(16)8-15;/h4-5,7,10H,1-3,6,8,15H2;1H
InChIKeyWSFMKWCMBAGGLX-UHFFFAOYSA-N
XLogP1.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969346
[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969331
2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 63397673
[1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969412
[1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988783
1-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119990956
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536
[(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124701057
[1-(2,4-difluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984795
[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 120708048
[(2S)-1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124695565
1-(4-bromo-2-fluorophenyl)sulfonyl-2-(bromomethyl)piperidine
CID 116530001

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride (CID 119969239) is [1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCCN1S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of [1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is WSFMKWCMBAGGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S.ClH/c13-9-4-5-12(11(14)7-9)19(17,18)16-6-2-1-3-10(16)8-15;/h4-5,7,10H,1-3,6,8,15H2;1H.
What are the key properties of [1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 326.80 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119969239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).