(2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate

C19H15F3N2O3S — CID 151842769

IUPAC(2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate
SMILESO=S(=O)(ONN(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F3N2O3S/c20-19(21,22)17-13-7-8-14-18(17)28(25,26)27-23-24(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,23H
InChIKeySHACHKBOGDXUAE-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.67
Rot. Bonds6

About (2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate

(2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate (PubChem CID 151842769) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is (2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate.

Molecular Properties

Compound Name(2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate
PubChem CID151842769
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Name(2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate
SMILESO=S(=O)(ONN(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F3N2O3S/c20-19(21,22)17-13-7-8-14-18(17)28(25,26)27-23-24(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,23H
InChIKeySHACHKBOGDXUAE-UHFFFAOYSA-N
XLogP4.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate?
The IUPAC name of (2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate (CID 151842769) is (2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate.
What is the SMILES notation for (2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate?
The canonical SMILES for (2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate is O=S(=O)(ONN(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of (2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate?
The InChIKey is SHACHKBOGDXUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c20-19(21,22)17-13-7-8-14-18(17)28(25,26)27-23-24(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,23H.
What are the key properties of (2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate?
(2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate has a molecular weight of 408.40 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate is sourced from PubChem (CID 151842769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).