1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine

C18H26N4O4S — CID 22208305

IUPAC1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3cnn(C)c3C)CC2)c(OC)c1
InChIInChI=1S/C18H26N4O4S/c1-14-15(12-19-20(14)2)13-21-7-9-22(10-8-21)27(23,24)18-6-5-16(25-3)11-17(18)26-4/h5-6,11-12H,7-10,13H2,1-4H3
InChIKeyKBXAVJOTKGBNLZ-UHFFFAOYSA-N
MW394.50 g/mol
LogP1.25
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine

1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine (PubChem CID 22208305) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine
PubChem CID22208305
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3cnn(C)c3C)CC2)c(OC)c1
InChIInChI=1S/C18H26N4O4S/c1-14-15(12-19-20(14)2)13-21-7-9-22(10-8-21)27(23,24)18-6-5-16(25-3)11-17(18)26-4/h5-6,11-12H,7-10,13H2,1-4H3
InChIKeyKBXAVJOTKGBNLZ-UHFFFAOYSA-N
XLogP1.25
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]morpholine
CID 113073742
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 22209419
1-(2,5-difluorophenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 163331887
1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 17060489
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 35881835
ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 91669968
1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 113072995
1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 110708580
1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 22208300
1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 6734604
[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605335

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine (CID 22208305) is 1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine is COc1ccc(S(=O)(=O)N2CCN(Cc3cnn(C)c3C)CC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine?
The InChIKey is KBXAVJOTKGBNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-14-15(12-19-20(14)2)13-21-7-9-22(10-8-21)27(23,24)18-6-5-16(25-3)11-17(18)26-4/h5-6,11-12H,7-10,13H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine?
1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine has a molecular weight of 394.50 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 22208305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).