1-(2-fluoro-6-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine

C15H15FN4O4S — CID 120764186

IUPAC1-(2-fluoro-6-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine
SMILESO=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H15FN4O4S/c16-12-4-1-5-13(20(21)22)15(12)25(23,24)19-8-7-18-10-14(19)11-3-2-6-17-9-11/h1-6,9,14,18H,7-8,10H2
InChIKeyBCGUSJNZSFJINF-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.46
Rot. Bonds4

About 1-(2-fluoro-6-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine

1-(2-fluoro-6-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine (PubChem CID 120764186) has the molecular formula C15H15FN4O4S and a molecular weight of 366.37 g/mol. Its IUPAC name is 1-(2-fluoro-6-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-(2-fluoro-6-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine
PubChem CID120764186
Molecular FormulaC15H15FN4O4S
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC Name1-(2-fluoro-6-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine
SMILESO=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H15FN4O4S/c16-12-4-1-5-13(20(21)22)15(12)25(23,24)19-8-7-18-10-14(19)11-3-2-6-17-9-11/h1-6,9,14,18H,7-8,10H2
InChIKeyBCGUSJNZSFJINF-UHFFFAOYSA-N
XLogP1.46
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4,5-dimethyl-2-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763942
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile
CID 120764062
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(2-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763694
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine
CID 120763880
1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine
CID 120876708
2-(3-fluorophenyl)-1-(2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120764840

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-(2-fluoro-6-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine (CID 120764186) is 1-(2-fluoro-6-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-(2-fluoro-6-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-(2-fluoro-6-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine is O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-(2-fluoro-6-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The InChIKey is BCGUSJNZSFJINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O4S/c16-12-4-1-5-13(20(21)22)15(12)25(23,24)19-8-7-18-10-14(19)11-3-2-6-17-9-11/h1-6,9,14,18H,7-8,10H2.
What are the key properties of 1-(2-fluoro-6-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine?
1-(2-fluoro-6-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine has a molecular weight of 366.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120764186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).