2-fluoro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide

C15H12FN3O4S — CID 2127063

IUPAC2-fluoro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1F
InChIInChI=1S/C15H12FN3O4S/c16-13-4-2-1-3-12(13)15(21)18-17-14(20)9-24-11-7-5-10(6-8-11)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyVLBGCLBAYOHUCX-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.29
Rot. Bonds5

About 2-fluoro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide

2-fluoro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide (PubChem CID 2127063) has the molecular formula C15H12FN3O4S and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-fluoro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
PubChem CID2127063
Molecular FormulaC15H12FN3O4S
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC Name2-fluoro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1F
InChIInChI=1S/C15H12FN3O4S/c16-13-4-2-1-3-12(13)15(21)18-17-14(20)9-24-11-7-5-10(6-8-11)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyVLBGCLBAYOHUCX-UHFFFAOYSA-N
XLogP2.29
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.29
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'}

Analyze 2-fluoro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide (CID 2127063) is 2-fluoro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide is O=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide?
The InChIKey is VLBGCLBAYOHUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O4S/c16-13-4-2-1-3-12(13)15(21)18-17-14(20)9-24-11-7-5-10(6-8-11)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21).
What are the key properties of 2-fluoro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide?
2-fluoro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide has a molecular weight of 349.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 2127063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).