N'-(3-methylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonohydrazide

C19H16F3N3O3S — CID 118706835

IUPACN'-(3-methylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonohydrazide
SMILESCc1cccc(NNS(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1
InChIInChI=1S/C19H16F3N3O3S/c1-13-3-2-4-15(11-13)24-25-29(26,27)17-8-6-16(7-9-17)28-18-10-5-14(12-23-18)19(20,21)22/h2-12,24-25H,1H3
InChIKeyRGOWDMHNPUZZHW-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.51
Rot. Bonds6

About N'-(3-methylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonohydrazide

N'-(3-methylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonohydrazide (PubChem CID 118706835) has the molecular formula C19H16F3N3O3S and a molecular weight of 423.42 g/mol. Its IUPAC name is N'-(3-methylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-(3-methylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonohydrazide
PubChem CID118706835
Molecular FormulaC19H16F3N3O3S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC NameN'-(3-methylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonohydrazide
SMILESCc1cccc(NNS(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1
InChIInChI=1S/C19H16F3N3O3S/c1-13-3-2-4-15(11-13)24-25-29(26,27)17-8-6-16(7-9-17)28-18-10-5-14(12-23-18)19(20,21)22/h2-12,24-25H,1H3
InChIKeyRGOWDMHNPUZZHW-UHFFFAOYSA-N
XLogP4.51
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.51
H-Bond Donors ≤ 52
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 N'-(3-methylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonohydrazide?
The IUPAC name of N'-(3-methylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonohydrazide (CID 118706835) is N'-(3-methylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonohydrazide.
What is the SMILES notation for N'-(3-methylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonohydrazide?
The canonical SMILES for N'-(3-methylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonohydrazide is Cc1cccc(NNS(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1.
What is the InChIKey of N'-(3-methylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonohydrazide?
The InChIKey is RGOWDMHNPUZZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3S/c1-13-3-2-4-15(11-13)24-25-29(26,27)17-8-6-16(7-9-17)28-18-10-5-14(12-23-18)19(20,21)22/h2-12,24-25H,1H3.
What are the key properties of N'-(3-methylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonohydrazide?
N'-(3-methylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonohydrazide has a molecular weight of 423.42 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonohydrazide is sourced from PubChem (CID 118706835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).