2-fluoro-N'-(4-hydroxy-3-nitrophenyl)sulfonylbenzohydrazide

C13H10FN3O6S — CID 31579182

IUPAC2-fluoro-N'-(4-hydroxy-3-nitrophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1F
InChIInChI=1S/C13H10FN3O6S/c14-10-4-2-1-3-9(10)13(19)15-16-24(22,23)8-5-6-12(18)11(7-8)17(20)21/h1-7,16,18H,(H,15,19)
InChIKeyILTIFMZPNNXDPD-UHFFFAOYSA-N
MW355.30 g/mol
LogP1.06
Rot. Bonds5

About 2-fluoro-N'-(4-hydroxy-3-nitrophenyl)sulfonylbenzohydrazide

2-fluoro-N'-(4-hydroxy-3-nitrophenyl)sulfonylbenzohydrazide (PubChem CID 31579182) has the molecular formula C13H10FN3O6S and a molecular weight of 355.30 g/mol. Its IUPAC name is 2-fluoro-N'-(4-hydroxy-3-nitrophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(4-hydroxy-3-nitrophenyl)sulfonylbenzohydrazide
PubChem CID31579182
Molecular FormulaC13H10FN3O6S
Molecular Weight355.30 g/mol
Exact Mass355.03
IUPAC Name2-fluoro-N'-(4-hydroxy-3-nitrophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1F
InChIInChI=1S/C13H10FN3O6S/c14-10-4-2-1-3-9(10)13(19)15-16-24(22,23)8-5-6-12(18)11(7-8)17(20)21/h1-7,16,18H,(H,15,19)
InChIKeyILTIFMZPNNXDPD-UHFFFAOYSA-N
XLogP1.06
TPSA138.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 51.06
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-(4-hydroxy-3-nitrophenyl)sulfonylbenzohydrazide?
The IUPAC name of 2-fluoro-N'-(4-hydroxy-3-nitrophenyl)sulfonylbenzohydrazide (CID 31579182) is 2-fluoro-N'-(4-hydroxy-3-nitrophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(4-hydroxy-3-nitrophenyl)sulfonylbenzohydrazide?
The canonical SMILES for 2-fluoro-N'-(4-hydroxy-3-nitrophenyl)sulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N'-(4-hydroxy-3-nitrophenyl)sulfonylbenzohydrazide?
The InChIKey is ILTIFMZPNNXDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O6S/c14-10-4-2-1-3-9(10)13(19)15-16-24(22,23)8-5-6-12(18)11(7-8)17(20)21/h1-7,16,18H,(H,15,19).
What are the key properties of 2-fluoro-N'-(4-hydroxy-3-nitrophenyl)sulfonylbenzohydrazide?
2-fluoro-N'-(4-hydroxy-3-nitrophenyl)sulfonylbenzohydrazide has a molecular weight of 355.30 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(4-hydroxy-3-nitrophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 31579182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).