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

C19H13ClF2N2O3S — CID 155569125

IUPAC5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cc(Cl)cc(-c2ccccc2)c1F
InChIInChI=1S/C19H13ClF2N2O3S/c20-13-10-14(12-6-2-1-3-7-12)18(22)15(11-13)19(25)23-24-28(26,27)17-9-5-4-8-16(17)21/h1-11,24H,(H,23,25)
InChIKeyMLUABCJSDARDPO-UHFFFAOYSA-N
MW422.84 g/mol
LogP3.91
Rot. Bonds5

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

5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide (PubChem CID 155569125) has the molecular formula C19H13ClF2N2O3S and a molecular weight of 422.84 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide
PubChem CID155569125
Molecular FormulaC19H13ClF2N2O3S
Molecular Weight422.84 g/mol
Exact Mass422.03
IUPAC Name5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cc(Cl)cc(-c2ccccc2)c1F
InChIInChI=1S/C19H13ClF2N2O3S/c20-13-10-14(12-6-2-1-3-7-12)18(22)15(11-13)19(25)23-24-28(26,27)17-9-5-4-8-16(17)21/h1-11,24H,(H,23,25)
InChIKeyMLUABCJSDARDPO-UHFFFAOYSA-N
XLogP3.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide?
The IUPAC name of 5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide (CID 155569125) is 5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide.
What is the SMILES notation for 5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide?
The canonical SMILES for 5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1F)c1cc(Cl)cc(-c2ccccc2)c1F.
What is the InChIKey of 5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide?
The InChIKey is MLUABCJSDARDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N2O3S/c20-13-10-14(12-6-2-1-3-7-12)18(22)15(11-13)19(25)23-24-28(26,27)17-9-5-4-8-16(17)21/h1-11,24H,(H,23,25).
What are the key properties of 5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide?
5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide has a molecular weight of 422.84 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide is sourced from PubChem (CID 155569125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).