4-(2,4-dimethylpiperazin-1-yl)sulfonylphenol

C12H18N2O3S — CID 114086849

IUPAC4-(2,4-dimethylpiperazin-1-yl)sulfonylphenol
SMILESCC1CN(C)CCN1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C12H18N2O3S/c1-10-9-13(2)7-8-14(10)18(16,17)12-5-3-11(15)4-6-12/h3-6,10,15H,7-9H2,1-2H3
InChIKeyHVQWQSIFXCZFFC-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.72
Rot. Bonds2

About 4-(2,4-dimethylpiperazin-1-yl)sulfonylphenol

4-(2,4-dimethylpiperazin-1-yl)sulfonylphenol (PubChem CID 114086849) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-(2,4-dimethylpiperazin-1-yl)sulfonylphenol.

Molecular Properties

Compound Name4-(2,4-dimethylpiperazin-1-yl)sulfonylphenol
PubChem CID114086849
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-(2,4-dimethylpiperazin-1-yl)sulfonylphenol
SMILESCC1CN(C)CCN1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C12H18N2O3S/c1-10-9-13(2)7-8-14(10)18(16,17)12-5-3-11(15)4-6-12/h3-6,10,15H,7-9H2,1-2H3
InChIKeyHVQWQSIFXCZFFC-UHFFFAOYSA-N
XLogP0.72
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one
CID 103823680
5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110707877
(2S)-1,4-bis[(4-iodophenyl)sulfonyl]-2-methylpiperazine
CID 92905831
1-[2-(chloromethyl)phenyl]sulfonyl-2,4-dimethylpiperazine
CID 114088037
(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 51708398
2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine
CID 2899373
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60854923
1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine
CID 110707939
1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine
CID 110707842
[4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone
CID 59007124
1,4-bis[(3,4-dimethylphenyl)sulfonyl]-2-methylpiperazine
CID 2896880

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpiperazin-1-yl)sulfonylphenol?
The IUPAC name of 4-(2,4-dimethylpiperazin-1-yl)sulfonylphenol (CID 114086849) is 4-(2,4-dimethylpiperazin-1-yl)sulfonylphenol.
What is the SMILES notation for 4-(2,4-dimethylpiperazin-1-yl)sulfonylphenol?
The canonical SMILES for 4-(2,4-dimethylpiperazin-1-yl)sulfonylphenol is CC1CN(C)CCN1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-(2,4-dimethylpiperazin-1-yl)sulfonylphenol?
The InChIKey is HVQWQSIFXCZFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-10-9-13(2)7-8-14(10)18(16,17)12-5-3-11(15)4-6-12/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of 4-(2,4-dimethylpiperazin-1-yl)sulfonylphenol?
4-(2,4-dimethylpiperazin-1-yl)sulfonylphenol has a molecular weight of 270.35 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpiperazin-1-yl)sulfonylphenol is sourced from PubChem (CID 114086849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).