2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide

C8H8F3N3O3S — CID 2800690

IUPAC2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide
SMILESNNC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H8F3N3O3S/c9-8(10,11)5-1-2-7(13-3-5)18(16,17)4-6(15)14-12/h1-3H,4,12H2,(H,14,15)
InChIKeyHJKQCNVEXMMYRM-UHFFFAOYSA-N
MW283.23 g/mol
LogP-0.14
Rot. Bonds3

About 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide

2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide (PubChem CID 2800690) has the molecular formula C8H8F3N3O3S and a molecular weight of 283.23 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide
PubChem CID2800690
Molecular FormulaC8H8F3N3O3S
Molecular Weight283.23 g/mol
Exact Mass283.02
IUPAC Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide
SMILESNNC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H8F3N3O3S/c9-8(10,11)5-1-2-7(13-3-5)18(16,17)4-6(15)14-12/h1-3H,4,12H2,(H,14,15)
InChIKeyHJKQCNVEXMMYRM-UHFFFAOYSA-N
XLogP-0.14
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide?
The IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide (CID 2800690) is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide?
The canonical SMILES for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide is NNC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide?
The InChIKey is HJKQCNVEXMMYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3S/c9-8(10,11)5-1-2-7(13-3-5)18(16,17)4-6(15)14-12/h1-3H,4,12H2,(H,14,15).
What are the key properties of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide?
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide has a molecular weight of 283.23 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide is sourced from PubChem (CID 2800690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).