2-[4-(2,4-dichloro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanol

C13H18Cl2N2O3S — CID 16644905

IUPAC2-[4-(2,4-dichloro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCc1c(Cl)ccc(S(=O)(=O)N2CCN(CCO)CC2)c1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c1-10-11(14)2-3-12(13(10)15)21(19,20)17-6-4-16(5-7-17)8-9-18/h2-3,18H,4-9H2,1H3
InChIKeyJIMGCZUDLMXBPL-UHFFFAOYSA-N
MW353.27 g/mol
LogP1.60
Rot. Bonds4

About 2-[4-(2,4-dichloro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanol

2-[4-(2,4-dichloro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 16644905) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 2-[4-(2,4-dichloro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,4-dichloro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID16644905
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC Name2-[4-(2,4-dichloro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCc1c(Cl)ccc(S(=O)(=O)N2CCN(CCO)CC2)c1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c1-10-11(14)2-3-12(13(10)15)21(19,20)17-6-4-16(5-7-17)8-9-18/h2-3,18H,4-9H2,1H3
InChIKeyJIMGCZUDLMXBPL-UHFFFAOYSA-N
XLogP1.60
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichloro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2,4-dichloro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanol (CID 16644905) is 2-[4-(2,4-dichloro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2,4-dichloro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2,4-dichloro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanol is Cc1c(Cl)ccc(S(=O)(=O)N2CCN(CCO)CC2)c1Cl.
What is the InChIKey of 2-[4-(2,4-dichloro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is JIMGCZUDLMXBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-10-11(14)2-3-12(13(10)15)21(19,20)17-6-4-16(5-7-17)8-9-18/h2-3,18H,4-9H2,1H3.
What are the key properties of 2-[4-(2,4-dichloro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
2-[4-(2,4-dichloro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 353.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichloro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 16644905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).