4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide

C16H18F3N3O2S — CID 8505628

IUPAC4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C16H18F3N3O2S/c1-15(2,3)11-4-7-13(8-5-11)25(23,24)22-21-14-9-6-12(10-20-14)16(17,18)19/h4-10,22H,1-3H3,(H,20,21)
InChIKeyFSEPAFAPVVQCIO-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.70
Rot. Bonds4

About 4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide

4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide (PubChem CID 8505628) has the molecular formula C16H18F3N3O2S and a molecular weight of 373.40 g/mol. Its IUPAC name is 4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
PubChem CID8505628
Molecular FormulaC16H18F3N3O2S
Molecular Weight373.40 g/mol
Exact Mass373.11
IUPAC Name4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C16H18F3N3O2S/c1-15(2,3)11-4-7-13(8-5-11)25(23,24)22-21-14-9-6-12(10-20-14)16(17,18)19/h4-10,22H,1-3H3,(H,20,21)
InChIKeyFSEPAFAPVVQCIO-UHFFFAOYSA-N
XLogP3.70
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The IUPAC name of 4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide (CID 8505628) is 4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The canonical SMILES for 4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide is CC(C)(C)c1ccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The InChIKey is FSEPAFAPVVQCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2S/c1-15(2,3)11-4-7-13(8-5-11)25(23,24)22-21-14-9-6-12(10-20-14)16(17,18)19/h4-10,22H,1-3H3,(H,20,21).
What are the key properties of 4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide has a molecular weight of 373.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide is sourced from PubChem (CID 8505628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).