4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide

C7H6ClF3N2O2S — CID 43476927

IUPAC4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide
SMILESNNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C7H6ClF3N2O2S/c8-4-1-2-6(16(14,15)13-12)5(3-4)7(9,10)11/h1-3,13H,12H2
InChIKeyJAAGBKMDIXBTON-UHFFFAOYSA-N
MW274.65 g/mol
LogP1.51
Rot. Bonds2

About 4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide

4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide (PubChem CID 43476927) has the molecular formula C7H6ClF3N2O2S and a molecular weight of 274.65 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide
PubChem CID43476927
Molecular FormulaC7H6ClF3N2O2S
Molecular Weight274.65 g/mol
Exact Mass273.98
IUPAC Name4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide
SMILESNNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C7H6ClF3N2O2S/c8-4-1-2-6(16(14,15)13-12)5(3-4)7(9,10)11/h1-3,13H,12H2
InChIKeyJAAGBKMDIXBTON-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'}

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Related Compounds

4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78787079
4-chloro-N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 2506765
N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980855
4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 25335042
4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 114616396
(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935898
4-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 24651399
4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26970163
4-chloro-N-(2-methoxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 102697538
4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 103918517
4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 62380630
4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 66109305

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide?
The IUPAC name of 4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide (CID 43476927) is 4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide is NNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide?
The InChIKey is JAAGBKMDIXBTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O2S/c8-4-1-2-6(16(14,15)13-12)5(3-4)7(9,10)11/h1-3,13H,12H2.
What are the key properties of 4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide?
4-chloro-2-(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 4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide is sourced from PubChem (CID 43476927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).