3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide

C19H14F2N2O4S — CID 155555713

IUPAC3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1cccc(O)c1F)c1cc(F)cc(-c2ccccc2)c1
InChIInChI=1S/C19H14F2N2O4S/c20-15-10-13(12-5-2-1-3-6-12)9-14(11-15)19(25)22-23-28(26,27)17-8-4-7-16(24)18(17)21/h1-11,23-24H,(H,22,25)
InChIKeyIWFLLEGBETVBKZ-UHFFFAOYSA-N
MW404.39 g/mol
LogP2.96
Rot. Bonds5

About 3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide

3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide (PubChem CID 155555713) has the molecular formula C19H14F2N2O4S and a molecular weight of 404.39 g/mol. Its IUPAC name is 3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide.

Molecular Properties

Compound Name3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide
PubChem CID155555713
Molecular FormulaC19H14F2N2O4S
Molecular Weight404.39 g/mol
Exact Mass404.06
IUPAC Name3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1cccc(O)c1F)c1cc(F)cc(-c2ccccc2)c1
InChIInChI=1S/C19H14F2N2O4S/c20-15-10-13(12-5-2-1-3-6-12)9-14(11-15)19(25)22-23-28(26,27)17-8-4-7-16(24)18(17)21/h1-11,23-24H,(H,22,25)
InChIKeyIWFLLEGBETVBKZ-UHFFFAOYSA-N
XLogP2.96
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyridin-2-ylbenzohydrazide
CID 133080719
N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide
CID 135298604
2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 155926750
3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 155532167
N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 26966737
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 135298783
N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide
CID 134581312
N'-(benzenesulfonyl)-2-fluoro-6-phenylbenzohydrazide
CID 134581170
N'-(2-methoxyphenyl)sulfonylbenzohydrazide
CID 51170282
3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 135298630
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide
CID 135298631
N'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
CID 8842495

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide?
The IUPAC name of 3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide (CID 155555713) is 3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide.
What is the SMILES notation for 3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide?
The canonical SMILES for 3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide is O=C(NNS(=O)(=O)c1cccc(O)c1F)c1cc(F)cc(-c2ccccc2)c1.
What is the InChIKey of 3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide?
The InChIKey is IWFLLEGBETVBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O4S/c20-15-10-13(12-5-2-1-3-6-12)9-14(11-15)19(25)22-23-28(26,27)17-8-4-7-16(24)18(17)21/h1-11,23-24H,(H,22,25).
What are the key properties of 3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide?
3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide has a molecular weight of 404.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide is sourced from PubChem (CID 155555713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).