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

C20H16F2N2O3S — CID 155516964

IUPAC2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1F
InChIInChI=1S/C20H16F2N2O3S/c1-13-11-15(14-7-3-2-4-8-14)12-16(19(13)22)20(25)23-24-28(26,27)18-10-6-5-9-17(18)21/h2-12,24H,1H3,(H,23,25)
InChIKeyWKUGGXSMLJTWPX-UHFFFAOYSA-N
MW402.42 g/mol
LogP3.56
Rot. Bonds5

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

2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide (PubChem CID 155516964) has the molecular formula C20H16F2N2O3S and a molecular weight of 402.42 g/mol. Its IUPAC name is 2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide
PubChem CID155516964
Molecular FormulaC20H16F2N2O3S
Molecular Weight402.42 g/mol
Exact Mass402.08
IUPAC Name2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1F
InChIInChI=1S/C20H16F2N2O3S/c1-13-11-15(14-7-3-2-4-8-14)12-16(19(13)22)20(25)23-24-28(26,27)18-10-6-5-9-17(18)21/h2-12,24H,1H3,(H,23,25)
InChIKeyWKUGGXSMLJTWPX-UHFFFAOYSA-N
XLogP3.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 53.56
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide?
The IUPAC name of 2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide (CID 155516964) is 2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide?
The canonical SMILES for 2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide is Cc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1F.
What is the InChIKey of 2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide?
The InChIKey is WKUGGXSMLJTWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3S/c1-13-11-15(14-7-3-2-4-8-14)12-16(19(13)22)20(25)23-24-28(26,27)18-10-6-5-9-17(18)21/h2-12,24H,1H3,(H,23,25).
What are the key properties of 2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide?
2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide has a molecular weight of 402.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide is sourced from PubChem (CID 155516964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).