1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride

C11H15Cl2FN2O2S — CID 119959277

IUPAC1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1
InChIInChI=1S/C11H14ClFN2O2S.ClH/c12-10-2-1-8(13)7-11(10)18(16,17)15-5-3-9(14)4-6-15;/h1-2,7,9H,3-6,14H2;1H
InChIKeySTMGXJLJRTWJPC-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.01
Rot. Bonds2

About 1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride

1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 119959277) has the molecular formula C11H15Cl2FN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride
PubChem CID119959277
Molecular FormulaC11H15Cl2FN2O2S
Molecular Weight329.22 g/mol
Exact Mass328.02
IUPAC Name1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1
InChIInChI=1S/C11H14ClFN2O2S.ClH/c12-10-2-1-8(13)7-11(10)18(16,17)15-5-3-9(14)4-6-15;/h1-2,7,9H,3-6,14H2;1H
InChIKeySTMGXJLJRTWJPC-UHFFFAOYSA-N
XLogP2.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine
CID 115752093
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972159
1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 164885281
1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971709
1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 119959333
1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585521
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119959137
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 29034322
(3R)-1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962428
1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine
CID 105400292
1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 103990791

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride (CID 119959277) is 1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride is Cl.NC1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is STMGXJLJRTWJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S.ClH/c12-10-2-1-8(13)7-11(10)18(16,17)15-5-3-9(14)4-6-15;/h1-2,7,9H,3-6,14H2;1H.
What are the key properties of 1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride?
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 329.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119959277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).