6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide

C24H19FN2O3S — CID 134581276

IUPAC6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide
SMILESCc1c(-c2ccccc2)ccc(F)c1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H19FN2O3S/c1-16-21(18-8-3-2-4-9-18)13-14-22(25)23(16)24(28)26-27-31(29,30)20-12-11-17-7-5-6-10-19(17)15-20/h2-15,27H,1H3,(H,26,28)
InChIKeyGUGNTBJSHAPHEA-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.58
Rot. Bonds5

About 6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide

6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide (PubChem CID 134581276) has the molecular formula C24H19FN2O3S and a molecular weight of 434.49 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide.

Molecular Properties

Compound Name6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide
PubChem CID134581276
Molecular FormulaC24H19FN2O3S
Molecular Weight434.49 g/mol
Exact Mass434.11
IUPAC Name6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide
SMILESCc1c(-c2ccccc2)ccc(F)c1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H19FN2O3S/c1-16-21(18-8-3-2-4-9-18)13-14-22(25)23(16)24(28)26-27-31(29,30)20-12-11-17-7-5-6-10-19(17)15-20/h2-15,27H,1H3,(H,26,28)
InChIKeyGUGNTBJSHAPHEA-UHFFFAOYSA-N
XLogP4.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.58
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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Related Compounds

6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide
CID 134581392
N'-(benzenesulfonyl)-2-fluoro-6-phenylbenzohydrazide
CID 134581170
2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 135298550
4-hydroxy-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 2367622
N'-(benzenesulfonyl)naphthalene-2-carbohydrazide
CID 91444236
4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 170607681
N'-naphthalen-2-ylsulfonylpyridine-3-carbohydrazide
CID 808034
4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide
CID 8823817
2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide
CID 8614803
N-(2,5-difluorophenyl)naphthalene-2-sulfonamide
CID 22773480
ethyl 2-(naphthalen-2-ylsulfonylamino)-4-phenylthiophene-3-carboxylate
CID 19203355
N'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide
CID 8505278

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide?
The IUPAC name of 6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide (CID 134581276) is 6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide.
What is the SMILES notation for 6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide?
The canonical SMILES for 6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide is Cc1c(-c2ccccc2)ccc(F)c1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide?
The InChIKey is GUGNTBJSHAPHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3S/c1-16-21(18-8-3-2-4-9-18)13-14-22(25)23(16)24(28)26-27-31(29,30)20-12-11-17-7-5-6-10-19(17)15-20/h2-15,27H,1H3,(H,26,28).
What are the key properties of 6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide?
6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide has a molecular weight of 434.49 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide is sourced from PubChem (CID 134581276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).