1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine

C16H22N4O4S2 — CID 17371555

IUPAC1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)cc1
InChIInChI=1S/C16H22N4O4S2/c1-13-4-6-15(7-5-13)25(21,22)19-8-10-20(11-9-19)26(23,24)16-12-18(3)17-14(16)2/h4-7,12H,8-11H2,1-3H3
InChIKeyHSENZPSPXSBOCT-UHFFFAOYSA-N
MW398.51 g/mol
LogP0.73
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine

1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 17371555) has the molecular formula C16H22N4O4S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID17371555
Molecular FormulaC16H22N4O4S2
Molecular Weight398.51 g/mol
Exact Mass398.11
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)cc1
InChIInChI=1S/C16H22N4O4S2/c1-13-4-6-15(7-5-13)25(21,22)19-8-10-20(11-9-19)26(23,24)16-12-18(3)17-14(16)2/h4-7,12H,8-11H2,1-3H3
InChIKeyHSENZPSPXSBOCT-UHFFFAOYSA-N
XLogP0.73
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 17380671
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022514
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 22202157
1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 6469213
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439
1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid
CID 3164934
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 2354155
1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 55352164
5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
CID 138005435

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine (CID 17371555) is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)cc1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is HSENZPSPXSBOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S2/c1-13-4-6-15(7-5-13)25(21,22)19-8-10-20(11-9-19)26(23,24)16-12-18(3)17-14(16)2/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 398.51 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 17371555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).