(E)-2-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide

C14H12F3N3O2S — CID 8505620

IUPAC(E)-2-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide
SMILESO=S(=O)(/C=C/c1ccccc1)NNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)12-6-7-13(18-10-12)19-20-23(21,22)9-8-11-4-2-1-3-5-11/h1-10,20H,(H,18,19)/b9-8+
InChIKeySWGMQSWSAGKRHB-CMDGGOBGSA-N
MW343.33 g/mol
LogP3.02
Rot. Bonds5

About (E)-2-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide

(E)-2-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide (PubChem CID 8505620) has the molecular formula C14H12F3N3O2S and a molecular weight of 343.33 g/mol. Its IUPAC name is (E)-2-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide.

Molecular Properties

Compound Name(E)-2-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide
PubChem CID8505620
Molecular FormulaC14H12F3N3O2S
Molecular Weight343.33 g/mol
Exact Mass343.06
IUPAC Name(E)-2-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide
SMILESO=S(=O)(/C=C/c1ccccc1)NNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)12-6-7-13(18-10-12)19-20-23(21,22)9-8-11-4-2-1-3-5-11/h1-10,20H,(H,18,19)/b9-8+
InChIKeySWGMQSWSAGKRHB-CMDGGOBGSA-N
XLogP3.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.02
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 (E)-2-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide?
The IUPAC name of (E)-2-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide (CID 8505620) is (E)-2-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide.
What is the SMILES notation for (E)-2-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide?
The canonical SMILES for (E)-2-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide is O=S(=O)(/C=C/c1ccccc1)NNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of (E)-2-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide?
The InChIKey is SWGMQSWSAGKRHB-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12F3N3O2S/c15-14(16,17)12-6-7-13(18-10-12)19-20-23(21,22)9-8-11-4-2-1-3-5-11/h1-10,20H,(H,18,19)/b9-8+.
What are the key properties of (E)-2-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide?
(E)-2-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide has a molecular weight of 343.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide is sourced from PubChem (CID 8505620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).