N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide

C12H7ClF5N3O2S — CID 4851243

IUPACN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide
SMILESO=S(=O)(NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C12H7ClF5N3O2S/c13-8-3-6(12(16,17)18)5-19-11(8)20-21-24(22,23)10-2-1-7(14)4-9(10)15/h1-5,21H,(H,19,20)
InChIKeyQMYHGWDJTXAPOF-UHFFFAOYSA-N
MW387.72 g/mol
LogP3.34
Rot. Bonds4

About N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide (PubChem CID 4851243) has the molecular formula C12H7ClF5N3O2S and a molecular weight of 387.72 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide
PubChem CID4851243
Molecular FormulaC12H7ClF5N3O2S
Molecular Weight387.72 g/mol
Exact Mass386.99
IUPAC NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide
SMILESO=S(=O)(NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C12H7ClF5N3O2S/c13-8-3-6(12(16,17)18)5-19-11(8)20-21-24(22,23)10-2-1-7(14)4-9(10)15/h1-5,21H,(H,19,20)
InChIKeyQMYHGWDJTXAPOF-UHFFFAOYSA-N
XLogP3.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.72
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide?
The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide (CID 4851243) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide.
What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide?
The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide is O=S(=O)(NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1F.
What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide?
The InChIKey is QMYHGWDJTXAPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF5N3O2S/c13-8-3-6(12(16,17)18)5-19-11(8)20-21-24(22,23)10-2-1-7(14)4-9(10)15/h1-5,21H,(H,19,20).
What are the key properties of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide?
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide has a molecular weight of 387.72 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide is sourced from PubChem (CID 4851243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).