1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine

C13H20ClN3O2S — CID 43585650

IUPAC1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-16(2)11-5-7-17(8-6-11)20(18,19)13-4-3-10(15)9-12(13)14/h3-4,9,11H,5-8,15H2,1-2H3
InChIKeyHILYIYFFYQFZLI-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.64
Rot. Bonds3

About 1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine

1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine (PubChem CID 43585650) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
PubChem CID43585650
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-16(2)11-5-7-17(8-6-11)20(18,19)13-4-3-10(15)9-12(13)14/h3-4,9,11H,5-8,15H2,1-2H3
InChIKeyHILYIYFFYQFZLI-UHFFFAOYSA-N
XLogP1.64
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine (CID 43585650) is 1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(S(=O)(=O)c2ccc(N)cc2Cl)CC1.
What is the InChIKey of 1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The InChIKey is HILYIYFFYQFZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-16(2)11-5-7-17(8-6-11)20(18,19)13-4-3-10(15)9-12(13)14/h3-4,9,11H,5-8,15H2,1-2H3.
What are the key properties of 1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine has a molecular weight of 317.84 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 43585650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).