1-(4,5-dichloro-2-methylphenyl)sulfonyl-4-ethylpiperazine

C13H18Cl2N2O2S — CID 6462076

IUPAC1-(4,5-dichloro-2-methylphenyl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2C)CC1
InChIInChI=1S/C13H18Cl2N2O2S/c1-3-16-4-6-17(7-5-16)20(18,19)13-9-12(15)11(14)8-10(13)2/h8-9H,3-7H2,1-2H3
InChIKeyRJOZLPSNBFQPBG-UHFFFAOYSA-N
MW337.27 g/mol
LogP2.63
Rot. Bonds3

About 1-(4,5-dichloro-2-methylphenyl)sulfonyl-4-ethylpiperazine

1-(4,5-dichloro-2-methylphenyl)sulfonyl-4-ethylpiperazine (PubChem CID 6462076) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is 1-(4,5-dichloro-2-methylphenyl)sulfonyl-4-ethylpiperazine.

Molecular Properties

Compound Name1-(4,5-dichloro-2-methylphenyl)sulfonyl-4-ethylpiperazine
PubChem CID6462076
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC Name1-(4,5-dichloro-2-methylphenyl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2C)CC1
InChIInChI=1S/C13H18Cl2N2O2S/c1-3-16-4-6-17(7-5-16)20(18,19)13-9-12(15)11(14)8-10(13)2/h8-9H,3-7H2,1-2H3
InChIKeyRJOZLPSNBFQPBG-UHFFFAOYSA-N
XLogP2.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dichloro-2-methylphenyl)sulfonyl-4-ethylpiperazine?
The IUPAC name of 1-(4,5-dichloro-2-methylphenyl)sulfonyl-4-ethylpiperazine (CID 6462076) is 1-(4,5-dichloro-2-methylphenyl)sulfonyl-4-ethylpiperazine.
What is the SMILES notation for 1-(4,5-dichloro-2-methylphenyl)sulfonyl-4-ethylpiperazine?
The canonical SMILES for 1-(4,5-dichloro-2-methylphenyl)sulfonyl-4-ethylpiperazine is CCN1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2C)CC1.
What is the InChIKey of 1-(4,5-dichloro-2-methylphenyl)sulfonyl-4-ethylpiperazine?
The InChIKey is RJOZLPSNBFQPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c1-3-16-4-6-17(7-5-16)20(18,19)13-9-12(15)11(14)8-10(13)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(4,5-dichloro-2-methylphenyl)sulfonyl-4-ethylpiperazine?
1-(4,5-dichloro-2-methylphenyl)sulfonyl-4-ethylpiperazine has a molecular weight of 337.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dichloro-2-methylphenyl)sulfonyl-4-ethylpiperazine is sourced from PubChem (CID 6462076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).