[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride

C12H17Cl2FN2O2S — CID 119963911

IUPAC[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C12H16ClFN2O2S.ClH/c13-11-7-10(14)1-2-12(11)19(17,18)16-5-3-9(8-15)4-6-16;/h1-2,7,9H,3-6,8,15H2;1H
InChIKeyPETBDGJQCXEPNJ-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.26
Rot. Bonds3

About [1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride

[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride (PubChem CID 119963911) has the molecular formula C12H17Cl2FN2O2S and a molecular weight of 343.25 g/mol. Its IUPAC name is [1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
PubChem CID119963911
Molecular FormulaC12H17Cl2FN2O2S
Molecular Weight343.25 g/mol
Exact Mass342.04
IUPAC Name[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C12H16ClFN2O2S.ClH/c13-11-7-10(14)1-2-12(11)19(17,18)16-5-3-9(8-15)4-6-16;/h1-2,7,9H,3-6,8,15H2;1H
InChIKeyPETBDGJQCXEPNJ-UHFFFAOYSA-N
XLogP2.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971709
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972159
3-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992755
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971923
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959277
1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120582967
[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119964008
1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 119961774
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine
CID 115752093
[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030656
1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol
CID 139017970

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride (CID 119963911) is [1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride is Cl.NCC1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1.
What is the InChIKey of [1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The InChIKey is PETBDGJQCXEPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S.ClH/c13-11-7-10(14)1-2-12(11)19(17,18)16-5-3-9(8-15)4-6-16;/h1-2,7,9H,3-6,8,15H2;1H.
What are the key properties of [1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride has a molecular weight of 343.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119963911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).