1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride

C11H16Cl2N2O2S — CID 119959058

IUPAC1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C11H15ClN2O2S.ClH/c12-9-2-1-3-11(8-9)17(15,16)14-6-4-10(13)5-7-14;/h1-3,8,10H,4-7,13H2;1H
InChIKeyGVAZFHWDZXACNE-UHFFFAOYSA-N
MW311.23 g/mol
LogP1.87
Rot. Bonds2

About 1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride

1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 119959058) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
PubChem CID119959058
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC Name1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C11H15ClN2O2S.ClH/c12-9-2-1-3-11(8-9)17(15,16)14-6-4-10(13)5-7-14;/h1-3,8,10H,4-7,13H2;1H
InChIKeyGVAZFHWDZXACNE-UHFFFAOYSA-N
XLogP1.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43556327
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
4-(1-chloroethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 106839553
1-(3-chlorophenyl)sulfonyl-4-cyclopentylpiperazine;hydrochloride
CID 163331803
1-(3-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120998710
1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
CID 46287364
3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride
CID 120998716
(3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine
CID 133125721

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride (CID 119959058) is 1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride is Cl.NC1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is GVAZFHWDZXACNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S.ClH/c12-9-2-1-3-11(8-9)17(15,16)14-6-4-10(13)5-7-14;/h1-3,8,10H,4-7,13H2;1H.
What are the key properties of 1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride?
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 311.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119959058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).