N'-methylsulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide

C9H10F3N3O5S2 — CID 2800705

IUPACN'-methylsulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide
SMILESCS(=O)(=O)NNC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O5S2/c1-21(17,18)15-14-7(16)5-22(19,20)8-3-2-6(4-13-8)9(10,11)12/h2-4,15H,5H2,1H3,(H,14,16)
InChIKeyWRIBGXQCRRIWBO-UHFFFAOYSA-N
MW361.32 g/mol
LogP-0.55
Rot. Bonds5

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

N'-methylsulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide (PubChem CID 2800705) has the molecular formula C9H10F3N3O5S2 and a molecular weight of 361.32 g/mol. Its IUPAC name is N'-methylsulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide.

Molecular Properties

Compound NameN'-methylsulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide
PubChem CID2800705
Molecular FormulaC9H10F3N3O5S2
Molecular Weight361.32 g/mol
Exact Mass361.00
IUPAC NameN'-methylsulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide
SMILESCS(=O)(=O)NNC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O5S2/c1-21(17,18)15-14-7(16)5-22(19,20)8-3-2-6(4-13-8)9(10,11)12/h2-4,15H,5H2,1H3,(H,14,16)
InChIKeyWRIBGXQCRRIWBO-UHFFFAOYSA-N
XLogP-0.55
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-methylsulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide?
The IUPAC name of N'-methylsulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide (CID 2800705) is N'-methylsulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide.
What is the SMILES notation for N'-methylsulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide?
The canonical SMILES for N'-methylsulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide is CS(=O)(=O)NNC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N'-methylsulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide?
The InChIKey is WRIBGXQCRRIWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O5S2/c1-21(17,18)15-14-7(16)5-22(19,20)8-3-2-6(4-13-8)9(10,11)12/h2-4,15H,5H2,1H3,(H,14,16).
What are the key properties of N'-methylsulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide?
N'-methylsulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide has a molecular weight of 361.32 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylsulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide is sourced from PubChem (CID 2800705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).