4-chloro-N'-(2,6-difluorophenyl)sulfonylbenzohydrazide

C13H9ClF2N2O3S — CID 8500452

IUPAC4-chloro-N'-(2,6-difluorophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1c(F)cccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClF2N2O3S/c14-9-6-4-8(5-7-9)13(19)17-18-22(20,21)12-10(15)2-1-3-11(12)16/h1-7,18H,(H,17,19)
InChIKeyWYHYFLSAWJUQPD-UHFFFAOYSA-N
MW346.74 g/mol
LogP2.24
Rot. Bonds4

About 4-chloro-N'-(2,6-difluorophenyl)sulfonylbenzohydrazide

4-chloro-N'-(2,6-difluorophenyl)sulfonylbenzohydrazide (PubChem CID 8500452) has the molecular formula C13H9ClF2N2O3S and a molecular weight of 346.74 g/mol. Its IUPAC name is 4-chloro-N'-(2,6-difluorophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(2,6-difluorophenyl)sulfonylbenzohydrazide
PubChem CID8500452
Molecular FormulaC13H9ClF2N2O3S
Molecular Weight346.74 g/mol
Exact Mass346.00
IUPAC Name4-chloro-N'-(2,6-difluorophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1c(F)cccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClF2N2O3S/c14-9-6-4-8(5-7-9)13(19)17-18-22(20,21)12-10(15)2-1-3-11(12)16/h1-7,18H,(H,17,19)
InChIKeyWYHYFLSAWJUQPD-UHFFFAOYSA-N
XLogP2.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.74
LogP ≤ 52.24
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 4-chloro-N'-(2,6-difluorophenyl)sulfonylbenzohydrazide?
The IUPAC name of 4-chloro-N'-(2,6-difluorophenyl)sulfonylbenzohydrazide (CID 8500452) is 4-chloro-N'-(2,6-difluorophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 4-chloro-N'-(2,6-difluorophenyl)sulfonylbenzohydrazide?
The canonical SMILES for 4-chloro-N'-(2,6-difluorophenyl)sulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1c(F)cccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-(2,6-difluorophenyl)sulfonylbenzohydrazide?
The InChIKey is WYHYFLSAWJUQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O3S/c14-9-6-4-8(5-7-9)13(19)17-18-22(20,21)12-10(15)2-1-3-11(12)16/h1-7,18H,(H,17,19).
What are the key properties of 4-chloro-N'-(2,6-difluorophenyl)sulfonylbenzohydrazide?
4-chloro-N'-(2,6-difluorophenyl)sulfonylbenzohydrazide has a molecular weight of 346.74 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(2,6-difluorophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 8500452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).