1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride

C11H16Cl2N2O3S — CID 46743495

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C11H15ClN2O3S.ClH/c1-17-10-3-2-9(12)8-11(10)18(15,16)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H
InChIKeySZDDFDUHXFLUIU-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.36
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride

1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride (PubChem CID 46743495) has the molecular formula C11H16Cl2N2O3S and a molecular weight of 327.23 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride
PubChem CID46743495
Molecular FormulaC11H16Cl2N2O3S
Molecular Weight327.23 g/mol
Exact Mass326.03
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C11H15ClN2O3S.ClH/c1-17-10-3-2-9(12)8-11(10)18(15,16)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H
InChIKeySZDDFDUHXFLUIU-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride (CID 46743495) is 1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride is COc1ccc(Cl)cc1S(=O)(=O)N1CCNCC1.Cl.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is SZDDFDUHXFLUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S.ClH/c1-17-10-3-2-9(12)8-11(10)18(15,16)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride?
1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 327.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 46743495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).