[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride

C12H16Cl3FN2O2S — CID 120708048

IUPAC[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C12H15Cl2FN2O2S.ClH/c13-9-4-5-10(11(14)12(9)15)20(18,19)17-6-2-1-3-8(17)7-16;/h4-5,8H,1-3,6-7,16H2;1H
InChIKeyWDDVOYSRWRIORF-UHFFFAOYSA-N
MW377.70 g/mol
LogP3.06
Rot. Bonds3

About [1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride

[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride (PubChem CID 120708048) has the molecular formula C12H16Cl3FN2O2S and a molecular weight of 377.70 g/mol. Its IUPAC name is [1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
PubChem CID120708048
Molecular FormulaC12H16Cl3FN2O2S
Molecular Weight377.70 g/mol
Exact Mass376.00
IUPAC Name[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C12H15Cl2FN2O2S.ClH/c13-9-4-5-10(11(14)12(9)15)20(18,19)17-6-2-1-3-8(17)7-16;/h4-5,8H,1-3,6-7,16H2;1H
InChIKeyWDDVOYSRWRIORF-UHFFFAOYSA-N
XLogP3.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.70
LogP ≤ 53.06
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

[1-(2,4-dichloro-3-fluorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120719012
[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536
[1-(2,4-dichloro-3-fluorophenyl)sulfonyl-6-methylpiperidin-2-yl]methanamine
CID 103089025
[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969346
1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidine-2-carbothioamide
CID 103088168
[(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124702661
[1-(2,4-dichloro-3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine
CID 103089185
[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969331
[1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988783
[(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212258
[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260781

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride (CID 120708048) is [1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCCN1S(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of [1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is WDDVOYSRWRIORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2FN2O2S.ClH/c13-9-4-5-10(11(14)12(9)15)20(18,19)17-6-2-1-3-8(17)7-16;/h4-5,8H,1-3,6-7,16H2;1H.
What are the key properties of [1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 377.70 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120708048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).