N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide

C12H9ClF3N3O2S — CID 4851242

IUPACN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
SMILESO=S(=O)(NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1
InChIInChI=1S/C12H9ClF3N3O2S/c13-10-6-8(12(14,15)16)7-17-11(10)18-19-22(20,21)9-4-2-1-3-5-9/h1-7,19H,(H,17,18)
InChIKeyLOYFKSGJPMUZNU-UHFFFAOYSA-N
MW351.74 g/mol
LogP3.06
Rot. Bonds4

About N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide (PubChem CID 4851242) has the molecular formula C12H9ClF3N3O2S and a molecular weight of 351.74 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
PubChem CID4851242
Molecular FormulaC12H9ClF3N3O2S
Molecular Weight351.74 g/mol
Exact Mass351.01
IUPAC NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
SMILESO=S(=O)(NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1
InChIInChI=1S/C12H9ClF3N3O2S/c13-10-6-8(12(14,15)16)7-17-11(10)18-19-22(20,21)9-4-2-1-3-5-9/h1-7,19H,(H,17,18)
InChIKeyLOYFKSGJPMUZNU-UHFFFAOYSA-N
XLogP3.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide (CID 4851242) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide.
What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide is O=S(=O)(NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1.
What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The InChIKey is LOYFKSGJPMUZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O2S/c13-10-6-8(12(14,15)16)7-17-11(10)18-19-22(20,21)9-4-2-1-3-5-9/h1-7,19H,(H,17,18).
What are the key properties of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide has a molecular weight of 351.74 g/mol, XLogP of 3.06, 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]benzenesulfonohydrazide is sourced from PubChem (CID 4851242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).