1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine

C19H28N4O4S2 — CID 17301208

IUPAC1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
SMILESCc1c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cnn1C
InChIInChI=1S/C19H28N4O4S2/c1-15(2)13-17-5-7-18(8-6-17)28(24,25)22-9-11-23(12-10-22)29(26,27)19-14-20-21(4)16(19)3/h5-8,14-15H,9-13H2,1-4H3
InChIKeyQXVVCALQDAKRGT-UHFFFAOYSA-N
MW440.59 g/mol
LogP1.62
Rot. Bonds6

About 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine

1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine (PubChem CID 17301208) has the molecular formula C19H28N4O4S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
PubChem CID17301208
Molecular FormulaC19H28N4O4S2
Molecular Weight440.59 g/mol
Exact Mass440.16
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
SMILESCc1c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cnn1C
InChIInChI=1S/C19H28N4O4S2/c1-15(2)13-17-5-7-18(8-6-17)28(24,25)22-9-11-23(12-10-22)29(26,27)19-14-20-21(4)16(19)3/h5-8,14-15H,9-13H2,1-4H3
InChIKeyQXVVCALQDAKRGT-UHFFFAOYSA-N
XLogP1.62
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 22208300
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684719
1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 19684674
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022437
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine
CID 22772813
1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684902
1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide
CID 22203361
1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 22208172
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975031
2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 19536432

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine (CID 17301208) is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine is Cc1c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine?
The InChIKey is QXVVCALQDAKRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S2/c1-15(2)13-17-5-7-18(8-6-17)28(24,25)22-9-11-23(12-10-22)29(26,27)19-14-20-21(4)16(19)3/h5-8,14-15H,9-13H2,1-4H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine?
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine has a molecular weight of 440.59 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 17301208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).