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

C11H15ClN2O3S — CID 1071339

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H15ClN2O3S/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
InChIKeyAROSEUNOEYMHLM-UHFFFAOYSA-N
MW290.77 g/mol
LogP0.94
Rot. Bonds3

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

1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine (PubChem CID 1071339) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine
PubChem CID1071339
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H15ClN2O3S/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
InChIKeyAROSEUNOEYMHLM-UHFFFAOYSA-N
XLogP0.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 50.94
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?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine (CID 1071339) is 1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine is COc1ccc(Cl)cc1S(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine?
The InChIKey is AROSEUNOEYMHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/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.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine?
1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine has a molecular weight of 290.77 g/mol, XLogP of 0.94, 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 is sourced from PubChem (CID 1071339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).