2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide

C17H13FN2O3S — CID 877350

IUPAC2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1F
InChIInChI=1S/C17H13FN2O3S/c18-16-8-4-3-7-15(16)17(21)19-20-24(22,23)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,20H,(H,19,21)
InChIKeyCMGWGSMHPCWLOH-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.60
Rot. Bonds4

About 2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide

2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide (PubChem CID 877350) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide
PubChem CID877350
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC Name2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1F
InChIInChI=1S/C17H13FN2O3S/c18-16-8-4-3-7-15(16)17(21)19-20-24(22,23)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,20H,(H,19,21)
InChIKeyCMGWGSMHPCWLOH-UHFFFAOYSA-N
XLogP2.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'-naphthalen-2-ylsulfonylbenzohydrazide?
The IUPAC name of 2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide (CID 877350) is 2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide.
What is the SMILES notation for 2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide?
The canonical SMILES for 2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide?
The InChIKey is CMGWGSMHPCWLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c18-16-8-4-3-7-15(16)17(21)19-20-24(22,23)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,20H,(H,19,21).
What are the key properties of 2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide?
2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide has a molecular weight of 344.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide is sourced from PubChem (CID 877350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).