3-chloro-5-(trifluoromethyl)benzenesulfonohydrazide

C7H6ClF3N2O2S — CID 171367003

IUPAC3-chloro-5-(trifluoromethyl)benzenesulfonohydrazide
SMILESNNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C7H6ClF3N2O2S/c8-5-1-4(7(9,10)11)2-6(3-5)16(14,15)13-12/h1-3,13H,12H2
InChIKeyHWBFBUQUKYGMIM-UHFFFAOYSA-N
MW274.65 g/mol
LogP1.51
Rot. Bonds2

About 3-chloro-5-(trifluoromethyl)benzenesulfonohydrazide

3-chloro-5-(trifluoromethyl)benzenesulfonohydrazide (PubChem CID 171367003) has the molecular formula C7H6ClF3N2O2S and a molecular weight of 274.65 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)benzenesulfonohydrazide.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)benzenesulfonohydrazide
PubChem CID171367003
Molecular FormulaC7H6ClF3N2O2S
Molecular Weight274.65 g/mol
Exact Mass273.98
IUPAC Name3-chloro-5-(trifluoromethyl)benzenesulfonohydrazide
SMILESNNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C7H6ClF3N2O2S/c8-5-1-4(7(9,10)11)2-6(3-5)16(14,15)13-12/h1-3,13H,12H2
InChIKeyHWBFBUQUKYGMIM-UHFFFAOYSA-N
XLogP1.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.65
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-5-(trifluoromethyl)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 3-chloro-5-(trifluoromethyl)benzenesulfonohydrazide?
The IUPAC name of 3-chloro-5-(trifluoromethyl)benzenesulfonohydrazide (CID 171367003) is 3-chloro-5-(trifluoromethyl)benzenesulfonohydrazide.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)benzenesulfonohydrazide?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)benzenesulfonohydrazide is NNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)benzenesulfonohydrazide?
The InChIKey is HWBFBUQUKYGMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O2S/c8-5-1-4(7(9,10)11)2-6(3-5)16(14,15)13-12/h1-3,13H,12H2.
What are the key properties of 3-chloro-5-(trifluoromethyl)benzenesulfonohydrazide?
3-chloro-5-(trifluoromethyl)benzenesulfonohydrazide has a molecular weight of 274.65 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)benzenesulfonohydrazide is sourced from PubChem (CID 171367003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).