1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride

C14H22Cl2N2O2S — CID 163331804

IUPAC1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride
SMILESCC(C)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C14H21ClN2O2S.ClH/c1-12(2)11-16-6-8-17(9-7-16)20(18,19)14-5-3-4-13(15)10-14;/h3-5,10,12H,6-9,11H2,1-2H3;1H
InChIKeyIOBUDDHYOHUXTI-UHFFFAOYSA-N
MW353.32 g/mol
LogP2.72
Rot. Bonds4

About 1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride

1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride (PubChem CID 163331804) has the molecular formula C14H22Cl2N2O2S and a molecular weight of 353.32 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride
PubChem CID163331804
Molecular FormulaC14H22Cl2N2O2S
Molecular Weight353.32 g/mol
Exact Mass352.08
IUPAC Name1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride
SMILESCC(C)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C14H21ClN2O2S.ClH/c1-12(2)11-16-6-8-17(9-7-16)20(18,19)14-5-3-4-13(15)10-14;/h3-5,10,12H,6-9,11H2,1-2H3;1H
InChIKeyIOBUDDHYOHUXTI-UHFFFAOYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 2451043
1-[(2-chloro-4-pyridinyl)sulfonyl]-4-(2-methylpropyl)piperazine
CID 61045915
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8757875
1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine
CID 113076262
4-(1-chloroethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 106839553
1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
CID 113072895
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 46560526
[4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine
CID 62777478
1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine
CID 51170108
1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18074509
1-(3-chlorophenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 163331809
[4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]boronic acid
CID 75486095

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride (CID 163331804) is 1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride is CC(C)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1.Cl.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride?
The InChIKey is IOBUDDHYOHUXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S.ClH/c1-12(2)11-16-6-8-17(9-7-16)20(18,19)14-5-3-4-13(15)10-14;/h3-5,10,12H,6-9,11H2,1-2H3;1H.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride?
1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride has a molecular weight of 353.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride is sourced from PubChem (CID 163331804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).