1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride

C12H17Cl3N2O2S — CID 119980298

IUPAC1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C12H16Cl2N2O2S.ClH/c1-15-9-4-6-16(7-5-9)19(17,18)10-2-3-11(13)12(14)8-10;/h2-3,8-9,15H,4-7H2,1H3;1H
InChIKeyLQOODLAFWYNBCD-UHFFFAOYSA-N
MW359.71 g/mol
LogP2.79
Rot. Bonds3

About 1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride

1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride (PubChem CID 119980298) has the molecular formula C12H17Cl3N2O2S and a molecular weight of 359.71 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
PubChem CID119980298
Molecular FormulaC12H17Cl3N2O2S
Molecular Weight359.71 g/mol
Exact Mass358.01
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C12H16Cl2N2O2S.ClH/c1-15-9-4-6-16(7-5-9)19(17,18)10-2-3-11(13)12(14)8-10;/h2-3,8-9,15H,4-7H2,1H3;1H
InChIKeyLQOODLAFWYNBCD-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.71
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80672110
N-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990721
N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980208
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963008
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 55572265
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119980179
methyl 1-(3,4-dichlorophenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732213
N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120710147

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride (CID 119980298) is 1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride is CNC1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride?
The InChIKey is LQOODLAFWYNBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S.ClH/c1-15-9-4-6-16(7-5-9)19(17,18)10-2-3-11(13)12(14)8-10;/h2-3,8-9,15H,4-7H2,1H3;1H.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride?
1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride has a molecular weight of 359.71 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119980298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).