1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine

C18H26N4O6S2 — CID 19684874

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c1
InChIInChI=1S/C18H26N4O6S2/c1-13-18(14(2)20(3)19-13)30(25,26)22-10-8-21(9-11-22)29(23,24)17-12-15(27-4)6-7-16(17)28-5/h6-7,12H,8-11H2,1-5H3
InChIKeyVPICTUSUSWJDDV-UHFFFAOYSA-N
MW458.56 g/mol
LogP0.75
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine

1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 19684874) has the molecular formula C18H26N4O6S2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
PubChem CID19684874
Molecular FormulaC18H26N4O6S2
Molecular Weight458.56 g/mol
Exact Mass458.13
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c1
InChIInChI=1S/C18H26N4O6S2/c1-13-18(14(2)20(3)19-13)30(25,26)22-10-8-21(9-11-22)29(23,24)17-12-15(27-4)6-7-16(17)28-5/h6-7,12H,8-11H2,1-5H3
InChIKeyVPICTUSUSWJDDV-UHFFFAOYSA-N
XLogP0.75
TPSA111.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2,5-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507124
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 19684880
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721462
(2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078819
[1-(4-methoxyphenyl)cyclopropyl]-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078829
3-(3,4-dimethoxyphenyl)-1-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 71843475
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylaniline
CID 2052121
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110419116
1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 8804090
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534054

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine (CID 19684874) is 1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine is COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is VPICTUSUSWJDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O6S2/c1-13-18(14(2)20(3)19-13)30(25,26)22-10-8-21(9-11-22)29(23,24)17-12-15(27-4)6-7-16(17)28-5/h6-7,12H,8-11H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine?
1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 458.56 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 19684874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).