1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride

C12H18Cl2N2O2S — CID 119959179

IUPAC1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCC(N)CC2)c(Cl)c1.Cl
InChIInChI=1S/C12H17ClN2O2S.ClH/c1-9-2-3-12(11(13)8-9)18(16,17)15-6-4-10(14)5-7-15;/h2-3,8,10H,4-7,14H2,1H3;1H
InChIKeyQWRLAHONFCRYSW-UHFFFAOYSA-N
MW325.26 g/mol
LogP2.18
Rot. Bonds2

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

1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 119959179) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
PubChem CID119959179
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC Name1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCC(N)CC2)c(Cl)c1.Cl
InChIInChI=1S/C12H17ClN2O2S.ClH/c1-9-2-3-12(11(13)8-9)18(16,17)15-6-4-10(14)5-7-15;/h2-3,8,10H,4-7,14H2,1H3;1H
InChIKeyQWRLAHONFCRYSW-UHFFFAOYSA-N
XLogP2.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962659
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868073
1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779997
1-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583142
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 115312553
N-[[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 80546648
1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834565
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 51339666
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680582
1-(2-chloro-4-methylphenyl)sulfonyl-5-methylpiperidin-3-amine
CID 79992997
1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
CID 32676595
methyl 1-(2-chloro-4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 32674219

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride (CID 119959179) is 1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride is Cc1ccc(S(=O)(=O)N2CCC(N)CC2)c(Cl)c1.Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is QWRLAHONFCRYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S.ClH/c1-9-2-3-12(11(13)8-9)18(16,17)15-6-4-10(14)5-7-15;/h2-3,8,10H,4-7,14H2,1H3;1H.
What are the key properties of 1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 325.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119959179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).