2-fluoro-N'-(2-fluorophenyl)sulfonyl-5-methyl-3-pyridin-2-ylbenzohydrazide

C19H15F2N3O3S — CID 155531041

IUPAC2-fluoro-N'-(2-fluorophenyl)sulfonyl-5-methyl-3-pyridin-2-ylbenzohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)c(F)c(-c2ccccn2)c1
InChIInChI=1S/C19H15F2N3O3S/c1-12-10-13(16-7-4-5-9-22-16)18(21)14(11-12)19(25)23-24-28(26,27)17-8-3-2-6-15(17)20/h2-11,24H,1H3,(H,23,25)
InChIKeyYZLKUOYGMDRYOD-UHFFFAOYSA-N
MW403.41 g/mol
LogP2.96
Rot. Bonds5

About 2-fluoro-N'-(2-fluorophenyl)sulfonyl-5-methyl-3-pyridin-2-ylbenzohydrazide

2-fluoro-N'-(2-fluorophenyl)sulfonyl-5-methyl-3-pyridin-2-ylbenzohydrazide (PubChem CID 155531041) has the molecular formula C19H15F2N3O3S and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-fluoro-N'-(2-fluorophenyl)sulfonyl-5-methyl-3-pyridin-2-ylbenzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(2-fluorophenyl)sulfonyl-5-methyl-3-pyridin-2-ylbenzohydrazide
PubChem CID155531041
Molecular FormulaC19H15F2N3O3S
Molecular Weight403.41 g/mol
Exact Mass403.08
IUPAC Name2-fluoro-N'-(2-fluorophenyl)sulfonyl-5-methyl-3-pyridin-2-ylbenzohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)c(F)c(-c2ccccn2)c1
InChIInChI=1S/C19H15F2N3O3S/c1-12-10-13(16-7-4-5-9-22-16)18(21)14(11-12)19(25)23-24-28(26,27)17-8-3-2-6-15(17)20/h2-11,24H,1H3,(H,23,25)
InChIKeyYZLKUOYGMDRYOD-UHFFFAOYSA-N
XLogP2.96
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(2-fluorophenyl)sulfonyl-5-methyl-3-pyridin-2-ylbenzohydrazide?
The IUPAC name of 2-fluoro-N'-(2-fluorophenyl)sulfonyl-5-methyl-3-pyridin-2-ylbenzohydrazide (CID 155531041) is 2-fluoro-N'-(2-fluorophenyl)sulfonyl-5-methyl-3-pyridin-2-ylbenzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(2-fluorophenyl)sulfonyl-5-methyl-3-pyridin-2-ylbenzohydrazide?
The canonical SMILES for 2-fluoro-N'-(2-fluorophenyl)sulfonyl-5-methyl-3-pyridin-2-ylbenzohydrazide is Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)c(F)c(-c2ccccn2)c1.
What is the InChIKey of 2-fluoro-N'-(2-fluorophenyl)sulfonyl-5-methyl-3-pyridin-2-ylbenzohydrazide?
The InChIKey is YZLKUOYGMDRYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3S/c1-12-10-13(16-7-4-5-9-22-16)18(21)14(11-12)19(25)23-24-28(26,27)17-8-3-2-6-15(17)20/h2-11,24H,1H3,(H,23,25).
What are the key properties of 2-fluoro-N'-(2-fluorophenyl)sulfonyl-5-methyl-3-pyridin-2-ylbenzohydrazide?
2-fluoro-N'-(2-fluorophenyl)sulfonyl-5-methyl-3-pyridin-2-ylbenzohydrazide has a molecular weight of 403.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(2-fluorophenyl)sulfonyl-5-methyl-3-pyridin-2-ylbenzohydrazide is sourced from PubChem (CID 155531041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).