4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide

C14H10F6N2O2S — CID 20705865

IUPAC4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide
SMILESO=S(=O)(NNc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F6N2O2S/c15-13(16,17)9-1-5-11(6-2-9)21-22-25(23,24)12-7-3-10(4-8-12)14(18,19)20/h1-8,21-22H
InChIKeyWVACAIXUWGKVRJ-UHFFFAOYSA-N
MW384.30 g/mol
LogP4.03
Rot. Bonds4

About 4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide

4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide (PubChem CID 20705865) has the molecular formula C14H10F6N2O2S and a molecular weight of 384.30 g/mol. Its IUPAC name is 4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide.

Molecular Properties

Compound Name4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide
PubChem CID20705865
Molecular FormulaC14H10F6N2O2S
Molecular Weight384.30 g/mol
Exact Mass384.04
IUPAC Name4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide
SMILESO=S(=O)(NNc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F6N2O2S/c15-13(16,17)9-1-5-11(6-2-9)21-22-25(23,24)12-7-3-10(4-8-12)14(18,19)20/h1-8,21-22H
InChIKeyWVACAIXUWGKVRJ-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide?
The IUPAC name of 4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide (CID 20705865) is 4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide.
What is the SMILES notation for 4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide?
The canonical SMILES for 4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide is O=S(=O)(NNc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide?
The InChIKey is WVACAIXUWGKVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N2O2S/c15-13(16,17)9-1-5-11(6-2-9)21-22-25(23,24)12-7-3-10(4-8-12)14(18,19)20/h1-8,21-22H.
What are the key properties of 4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide?
4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide has a molecular weight of 384.30 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide is sourced from PubChem (CID 20705865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).