1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine

C16H16FN3O4S — CID 1068502

IUPAC1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C16H16FN3O4S/c17-13-1-3-14(4-2-13)18-9-11-19(12-10-18)25(23,24)16-7-5-15(6-8-16)20(21)22/h1-8H,9-12H2
InChIKeySHLPPDVEEWDILD-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.24
Rot. Bonds4

About 1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine

1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine (PubChem CID 1068502) has the molecular formula C16H16FN3O4S and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine
PubChem CID1068502
Molecular FormulaC16H16FN3O4S
Molecular Weight365.39 g/mol
Exact Mass365.08
IUPAC Name1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C16H16FN3O4S/c17-13-1-3-14(4-2-13)18-9-11-19(12-10-18)25(23,24)16-7-5-15(6-8-16)20(21)22/h1-8H,9-12H2
InChIKeySHLPPDVEEWDILD-UHFFFAOYSA-N
XLogP2.24
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 154576516
1-(4-tert-butylphenyl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 15997991
1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 112501974
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 86670361
1-(4-nitrophenyl)-4-(3-nitrophenyl)sulfonylpiperazine
CID 19682752
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(4-nitrophenyl)piperazine
CID 2942834
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-nitrobenzonitrile
CID 7922926
1-(4-butan-2-ylphenyl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 19682745
1-(4-fluorophenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazine
CID 2950180
4-(4-fluorophenyl)-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121107487

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine (CID 1068502) is 1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine is O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine?
The InChIKey is SHLPPDVEEWDILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4S/c17-13-1-3-14(4-2-13)18-9-11-19(12-10-18)25(23,24)16-7-5-15(6-8-16)20(21)22/h1-8H,9-12H2.
What are the key properties of 1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine?
1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine has a molecular weight of 365.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine is sourced from PubChem (CID 1068502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).