1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(3-fluorophenyl)sulfonylpiperazine

C15H19FN4O4S2 — CID 8933454

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(3-fluorophenyl)sulfonylpiperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN4O4S2/c1-11-15(12(2)18-17-11)26(23,24)20-8-6-19(7-9-20)25(21,22)14-5-3-4-13(16)10-14/h3-5,10H,6-9H2,1-2H3,(H,17,18)
InChIKeyVTCOQFDDVUVXDY-UHFFFAOYSA-N
MW402.47 g/mol
LogP0.86
Rot. Bonds4

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(3-fluorophenyl)sulfonylpiperazine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(3-fluorophenyl)sulfonylpiperazine (PubChem CID 8933454) has the molecular formula C15H19FN4O4S2 and a molecular weight of 402.47 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(3-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(3-fluorophenyl)sulfonylpiperazine
PubChem CID8933454
Molecular FormulaC15H19FN4O4S2
Molecular Weight402.47 g/mol
Exact Mass402.08
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(3-fluorophenyl)sulfonylpiperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN4O4S2/c1-11-15(12(2)18-17-11)26(23,24)20-8-6-19(7-9-20)25(21,22)14-5-3-4-13(16)10-14/h3-5,10H,6-9H2,1-2H3,(H,17,18)
InChIKeyVTCOQFDDVUVXDY-UHFFFAOYSA-N
XLogP0.86
TPSA103.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[1-(4-fluorobenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}morpholine
CID 22579045
1-{[1-(4-Fluorobenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-YL]sulfonyl}azepane
CID 16029701
1-{[1-(4-fluorobenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperidine
CID 16029703
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 16277330
1-(3,4-dimethylphenyl)sulfonyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 9101469
1-{[1-(4-fluorobenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine
CID 16029705
4-((2,4-Difluorophenyl)fluoromethylene)-1-(3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine
CID 86580868
N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide
CID 72121237
1-(2-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 110270602
1-(4-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 110270606
1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 118740396
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 3590537

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(3-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(3-fluorophenyl)sulfonylpiperazine (CID 8933454) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(3-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(3-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(3-fluorophenyl)sulfonylpiperazine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(3-fluorophenyl)sulfonylpiperazine?
The InChIKey is VTCOQFDDVUVXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O4S2/c1-11-15(12(2)18-17-11)26(23,24)20-8-6-19(7-9-20)25(21,22)14-5-3-4-13(16)10-14/h3-5,10H,6-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(3-fluorophenyl)sulfonylpiperazine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(3-fluorophenyl)sulfonylpiperazine has a molecular weight of 402.47 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(3-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 8933454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).