1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine

C16H15F2N3O4S — CID 9111606

IUPAC1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine
SMILESO=[N+]([O-])c1cc(F)ccc1N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H15F2N3O4S/c17-12-5-6-14(15(11-12)21(22)23)19-7-9-20(10-8-19)26(24,25)16-4-2-1-3-13(16)18/h1-6,11H,7-10H2
InChIKeyJSRHFIJLRFCIPL-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.38
Rot. Bonds4

About 1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine

1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine (PubChem CID 9111606) has the molecular formula C16H15F2N3O4S and a molecular weight of 383.38 g/mol. Its IUPAC name is 1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine
PubChem CID9111606
Molecular FormulaC16H15F2N3O4S
Molecular Weight383.38 g/mol
Exact Mass383.08
IUPAC Name1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine
SMILESO=[N+]([O-])c1cc(F)ccc1N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H15F2N3O4S/c17-12-5-6-14(15(11-12)21(22)23)19-7-9-20(10-8-19)26(24,25)16-4-2-1-3-13(16)18/h1-6,11H,7-10H2
InChIKeyJSRHFIJLRFCIPL-UHFFFAOYSA-N
XLogP2.38
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.38
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-(2,5-difluorophenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
CID 27817251
1-[4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-nitrophenyl]ethanone
CID 27817240
1-(4-fluoro-2-nitrophenyl)-4-(3-nitrophenyl)sulfonylpiperazine
CID 26451032
1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine
CID 26451257
1-(4-fluoro-2-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 26451318
2-[4-(2,4-dinitrophenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 26453982
1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine
CID 8567614
1-(2-chloro-4-fluorophenyl)sulfonyl-4-(2-fluoro-4-nitrophenyl)piperazine
CID 3482251
1-(4-fluorophenyl)sulfonyl-4-(4-methoxy-2-nitrophenyl)piperazine
CID 2981141
1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)sulfonylpiperazine
CID 26452971
1-benzhydryl-4-(4-fluoro-2-nitrophenyl)piperazine
CID 9186905
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-8-nitroquinoline
CID 133436339

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine (CID 9111606) is 1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine is O=[N+]([O-])c1cc(F)ccc1N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine?
The InChIKey is JSRHFIJLRFCIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O4S/c17-12-5-6-14(15(11-12)21(22)23)19-7-9-20(10-8-19)26(24,25)16-4-2-1-3-13(16)18/h1-6,11H,7-10H2.
What are the key properties of 1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine?
1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine has a molecular weight of 383.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 9111606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).