N'-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylacetohydrazide

C11H11F3N4O3S2 — CID 541020

IUPACN'-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C11H11F3N4O3S2/c1-6(19)15-17-23(20,21)10-4-3-8(22-10)7-5-9(11(12,13)14)18(2)16-7/h3-5,17H,1-2H3,(H,15,19)
InChIKeySJUXVKVTYZZUIS-UHFFFAOYSA-N
MW368.36 g/mol
LogP1.50
Rot. Bonds4

About N'-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylacetohydrazide

N'-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylacetohydrazide (PubChem CID 541020) has the molecular formula C11H11F3N4O3S2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N'-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylacetohydrazide
PubChem CID541020
Molecular FormulaC11H11F3N4O3S2
Molecular Weight368.36 g/mol
Exact Mass368.02
IUPAC NameN'-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C11H11F3N4O3S2/c1-6(19)15-17-23(20,21)10-4-3-8(22-10)7-5-9(11(12,13)14)18(2)16-7/h3-5,17H,1-2H3,(H,15,19)
InChIKeySJUXVKVTYZZUIS-UHFFFAOYSA-N
XLogP1.50
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 51.50
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'-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylacetohydrazide?
The IUPAC name of N'-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylacetohydrazide (CID 541020) is N'-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylacetohydrazide.
What is the SMILES notation for N'-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylacetohydrazide?
The canonical SMILES for N'-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylacetohydrazide is CC(=O)NNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.
What is the InChIKey of N'-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylacetohydrazide?
The InChIKey is SJUXVKVTYZZUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O3S2/c1-6(19)15-17-23(20,21)10-4-3-8(22-10)7-5-9(11(12,13)14)18(2)16-7/h3-5,17H,1-2H3,(H,15,19).
What are the key properties of N'-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylacetohydrazide?
N'-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylacetohydrazide has a molecular weight of 368.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylacetohydrazide is sourced from PubChem (CID 541020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).