N'-(4-fluorophenyl)sulfonyl-4-nitrobenzohydrazide

C13H10FN3O5S — CID 3113467

IUPACN'-(4-fluorophenyl)sulfonyl-4-nitrobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10FN3O5S/c14-10-3-7-12(8-4-10)23(21,22)16-15-13(18)9-1-5-11(6-2-9)17(19)20/h1-8,16H,(H,15,18)
InChIKeyDALBIHHOVYXEOR-UHFFFAOYSA-N
MW339.30 g/mol
LogP1.36
Rot. Bonds5

About N'-(4-fluorophenyl)sulfonyl-4-nitrobenzohydrazide

N'-(4-fluorophenyl)sulfonyl-4-nitrobenzohydrazide (PubChem CID 3113467) has the molecular formula C13H10FN3O5S and a molecular weight of 339.30 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfonyl-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfonyl-4-nitrobenzohydrazide
PubChem CID3113467
Molecular FormulaC13H10FN3O5S
Molecular Weight339.30 g/mol
Exact Mass339.03
IUPAC NameN'-(4-fluorophenyl)sulfonyl-4-nitrobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10FN3O5S/c14-10-3-7-12(8-4-10)23(21,22)16-15-13(18)9-1-5-11(6-2-9)17(19)20/h1-8,16H,(H,15,18)
InChIKeyDALBIHHOVYXEOR-UHFFFAOYSA-N
XLogP1.36
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
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

CID 44328873
CID 44328873
CID 3373596
CID 3373596
CID 3401606
CID 3401606
CID 2811806
CID 2811806
CID 975306
CID 975306
CID 3102012
CID 3102012
CID 3696545
CID 3696545
CID 11439243
CID 11439243
CID 762361
CID 762361
CID 1016031
CID 1016031
CID 2127063
CID 2127063
CID 3138395
CID 3138395

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)sulfonyl-4-nitrobenzohydrazide?
The IUPAC name of N'-(4-fluorophenyl)sulfonyl-4-nitrobenzohydrazide (CID 3113467) is N'-(4-fluorophenyl)sulfonyl-4-nitrobenzohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfonyl-4-nitrobenzohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)sulfonyl-4-nitrobenzohydrazide is O=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(4-fluorophenyl)sulfonyl-4-nitrobenzohydrazide?
The InChIKey is DALBIHHOVYXEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O5S/c14-10-3-7-12(8-4-10)23(21,22)16-15-13(18)9-1-5-11(6-2-9)17(19)20/h1-8,16H,(H,15,18).
What are the key properties of N'-(4-fluorophenyl)sulfonyl-4-nitrobenzohydrazide?
N'-(4-fluorophenyl)sulfonyl-4-nitrobenzohydrazide has a molecular weight of 339.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)sulfonyl-4-nitrobenzohydrazide is sourced from PubChem (CID 3113467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).