2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide

C19H13F3N2O3S — CID 155926750

IUPAC2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cc(-c2ccc(F)cc2)ccc1F
InChIInChI=1S/C19H13F3N2O3S/c20-14-8-5-12(6-9-14)13-7-10-16(21)15(11-13)19(25)23-24-28(26,27)18-4-2-1-3-17(18)22/h1-11,24H,(H,23,25)
InChIKeyXZWNXJXWKUXZSJ-UHFFFAOYSA-N
MW406.39 g/mol
LogP3.39
Rot. Bonds5

About 2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide

2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide (PubChem CID 155926750) has the molecular formula C19H13F3N2O3S and a molecular weight of 406.39 g/mol. Its IUPAC name is 2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide
PubChem CID155926750
Molecular FormulaC19H13F3N2O3S
Molecular Weight406.39 g/mol
Exact Mass406.06
IUPAC Name2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cc(-c2ccc(F)cc2)ccc1F
InChIInChI=1S/C19H13F3N2O3S/c20-14-8-5-12(6-9-14)13-7-10-16(21)15(11-13)19(25)23-24-28(26,27)18-4-2-1-3-17(18)22/h1-11,24H,(H,23,25)
InChIKeyXZWNXJXWKUXZSJ-UHFFFAOYSA-N
XLogP3.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 53.39
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

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3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide
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N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide
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N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide
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3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide
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N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide
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CID 46312387

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
The IUPAC name of 2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide (CID 155926750) is 2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
The canonical SMILES for 2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1F)c1cc(-c2ccc(F)cc2)ccc1F.
What is the InChIKey of 2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
The InChIKey is XZWNXJXWKUXZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3S/c20-14-8-5-12(6-9-14)13-7-10-16(21)15(11-13)19(25)23-24-28(26,27)18-4-2-1-3-17(18)22/h1-11,24H,(H,23,25).
What are the key properties of 2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide has a molecular weight of 406.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 155926750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).