2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide

C18H15FN2O3S — CID 135298550

IUPAC2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide
SMILESCc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1F
InChIInChI=1S/C18H15FN2O3S/c1-12-5-4-8-16(17(12)19)18(22)20-21-25(23,24)15-10-9-13-6-2-3-7-14(13)11-15/h2-11,21H,1H3,(H,20,22)
InChIKeyDILVLVXPRQTRMP-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.91
Rot. Bonds4

About 2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide

2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide (PubChem CID 135298550) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide
PubChem CID135298550
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide
SMILESCc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1F
InChIInChI=1S/C18H15FN2O3S/c1-12-5-4-8-16(17(12)19)18(22)20-21-25(23,24)15-10-9-13-6-2-3-7-14(13)11-15/h2-11,21H,1H3,(H,20,22)
InChIKeyDILVLVXPRQTRMP-UHFFFAOYSA-N
XLogP2.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.91
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

4-hydroxy-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 2367622
6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide
CID 134581276
4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide
CID 8823817
N'-naphthalen-2-ylsulfonylpyridine-3-carbohydrazide
CID 808034
N'-(benzenesulfonyl)naphthalene-2-carbohydrazide
CID 91444236
2-hydroxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 766765
2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide
CID 8614803
2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 55878321
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504906
N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide
CID 4730098
N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide
CID 54112488

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide?
The IUPAC name of 2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide (CID 135298550) is 2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide.
What is the SMILES notation for 2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide?
The canonical SMILES for 2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide is Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide?
The InChIKey is DILVLVXPRQTRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-12-5-4-8-16(17(12)19)18(22)20-21-25(23,24)15-10-9-13-6-2-3-7-14(13)11-15/h2-11,21H,1H3,(H,20,22).
What are the key properties of 2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide?
2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide has a molecular weight of 358.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide is sourced from PubChem (CID 135298550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).