2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide

C13H11F3N2O4S — CID 29424945

IUPAC2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccc(F)c(F)c2F)c(C)o1
InChIInChI=1S/C13H11F3N2O4S/c1-6-5-8(7(2)22-6)13(19)17-18-23(20,21)10-4-3-9(14)11(15)12(10)16/h3-5,18H,1-2H3,(H,17,19)
InChIKeyGNEOBWNQCZAOQJ-UHFFFAOYSA-N
MW348.30 g/mol
LogP1.94
Rot. Bonds4

About 2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide

2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide (PubChem CID 29424945) has the molecular formula C13H11F3N2O4S and a molecular weight of 348.30 g/mol. Its IUPAC name is 2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide
PubChem CID29424945
Molecular FormulaC13H11F3N2O4S
Molecular Weight348.30 g/mol
Exact Mass348.04
IUPAC Name2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccc(F)c(F)c2F)c(C)o1
InChIInChI=1S/C13H11F3N2O4S/c1-6-5-8(7(2)22-6)13(19)17-18-23(20,21)10-4-3-9(14)11(15)12(10)16/h3-5,18H,1-2H3,(H,17,19)
InChIKeyGNEOBWNQCZAOQJ-UHFFFAOYSA-N
XLogP1.94
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide
CID 134040433
N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980804
N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980796
N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 39769818
N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980794
2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide
CID 26980778
N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26487286
N'-(2-fluoro-5-methylphenyl)sulfonyl-2-hydroxybenzohydrazide
CID 60532960
N'-(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 55597383
N'-(4-cyclohexylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980824
N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 4808606

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide (CID 29424945) is 2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide is Cc1cc(C(=O)NNS(=O)(=O)c2ccc(F)c(F)c2F)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide?
The InChIKey is GNEOBWNQCZAOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O4S/c1-6-5-8(7(2)22-6)13(19)17-18-23(20,21)10-4-3-9(14)11(15)12(10)16/h3-5,18H,1-2H3,(H,17,19).
What are the key properties of 2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide?
2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide has a molecular weight of 348.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide is sourced from PubChem (CID 29424945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).