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

C11H16Cl2N2O3S — CID 119961618

IUPAC1-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride
SMILESCOc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C11H15ClN2O3S.ClH/c1-17-9-2-3-10(12)11(8-9)18(15,16)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H
InChIKeyAIQIROPITRZKIL-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.36
Rot. Bonds3

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

1-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride (PubChem CID 119961618) has the molecular formula C11H16Cl2N2O3S and a molecular weight of 327.23 g/mol. Its IUPAC name is 1-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride
PubChem CID119961618
Molecular FormulaC11H16Cl2N2O3S
Molecular Weight327.23 g/mol
Exact Mass326.03
IUPAC Name1-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride
SMILESCOc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C11H15ClN2O3S.ClH/c1-17-9-2-3-10(12)11(8-9)18(15,16)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H
InChIKeyAIQIROPITRZKIL-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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Related Compounds

1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974773
1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
CID 1178550
1-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763257
[1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971958
2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960534
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 119961646
1-(2-chloro-5-methoxyphenyl)piperazine
CID 18663028
2-[[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]-ethylamino]acetic acid;hydrochloride
CID 129004445
(3S,4R)-1-(2-chloro-5-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766856
1-chloro-3-(1,4-diazepan-1-ylsulfonyl)-6-methoxyisoquinoline
CID 88849281
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,4-diazepane;hydrochloride
CID 119963371
1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 119961774

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 1-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride (CID 119961618) is 1-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride is COc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1.Cl.
What is the InChIKey of 1-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is AIQIROPITRZKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S.ClH/c1-17-9-2-3-10(12)11(8-9)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-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride?
1-(2-chloro-5-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-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 119961618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).