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

C11H15ClN2O2S — CID 43361704

IUPAC1-(5-chloro-2-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H15ClN2O2S/c1-9-2-3-10(12)8-11(9)17(15,16)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKeyGVNRITSDCTVUFR-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.24
Rot. Bonds2

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

1-(5-chloro-2-methylphenyl)sulfonylpiperazine (PubChem CID 43361704) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)sulfonylpiperazine
PubChem CID43361704
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name1-(5-chloro-2-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H15ClN2O2S/c1-9-2-3-10(12)8-11(9)17(15,16)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKeyGVNRITSDCTVUFR-UHFFFAOYSA-N
XLogP1.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)sulfonylpiperazine (CID 43361704) is 1-(5-chloro-2-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)sulfonylpiperazine is Cc1ccc(Cl)cc1S(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)sulfonylpiperazine?
The InChIKey is GVNRITSDCTVUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-9-2-3-10(12)8-11(9)17(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-methylphenyl)sulfonylpiperazine?
1-(5-chloro-2-methylphenyl)sulfonylpiperazine has a molecular weight of 274.77 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 43361704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).