1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride

C14H23ClN2O2S — CID 42917371

IUPAC1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-3-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15-9-11-16;/h4-7,12,15H,3,8-11H2,1-2H3;1H
InChIKeyAUIMCRHZJHZROW-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.22
Rot. Bonds4

About 1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride

1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride (PubChem CID 42917371) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride
PubChem CID42917371
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-3-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15-9-11-16;/h4-7,12,15H,3,8-11H2,1-2H3;1H
InChIKeyAUIMCRHZJHZROW-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride (CID 42917371) is 1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride is CCC(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1.Cl.
What is the InChIKey of 1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is AUIMCRHZJHZROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-3-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15-9-11-16;/h4-7,12,15H,3,8-11H2,1-2H3;1H.
What are the key properties of 1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride?
1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 42917371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).