N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide

C12H9F3N2O4S — CID 8616858

IUPACN'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C12H9F3N2O4S/c13-12(14,15)8-3-1-4-9(7-8)22(19,20)17-16-11(18)10-5-2-6-21-10/h1-7,17H,(H,16,18)
InChIKeyWMWWHYNUIHWHSZ-UHFFFAOYSA-N
MW334.28 g/mol
LogP1.92
Rot. Bonds4

About N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide

N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide (PubChem CID 8616858) has the molecular formula C12H9F3N2O4S and a molecular weight of 334.28 g/mol. Its IUPAC name is N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide
PubChem CID8616858
Molecular FormulaC12H9F3N2O4S
Molecular Weight334.28 g/mol
Exact Mass334.02
IUPAC NameN'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C12H9F3N2O4S/c13-12(14,15)8-3-1-4-9(7-8)22(19,20)17-16-11(18)10-5-2-6-21-10/h1-7,17H,(H,16,18)
InChIKeyWMWWHYNUIHWHSZ-UHFFFAOYSA-N
XLogP1.92
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2084455
4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 8500429
N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide
CID 8616927
N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide
CID 8616849
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 46656593
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
N'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
CID 43001007
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)furan-2-carbohydrazide
CID 8616962
N-(furan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 38254434
1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 23548404
(2R,3S)-4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxo-2,3-bis[[3-(trifluoromethyl)benzoyl]oxy]butanoic acid
CID 126386315
N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-3-(trifluoromethyl)benzenesulfonohydrazide
CID 162590489

Frequently Asked Questions

What is the IUPAC name of N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide?
The IUPAC name of N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide (CID 8616858) is N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide.
What is the SMILES notation for N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide?
The canonical SMILES for N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide is O=C(NNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccco1.
What is the InChIKey of N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide?
The InChIKey is WMWWHYNUIHWHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O4S/c13-12(14,15)8-3-1-4-9(7-8)22(19,20)17-16-11(18)10-5-2-6-21-10/h1-7,17H,(H,16,18).
What are the key properties of N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide?
N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide has a molecular weight of 334.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide is sourced from PubChem (CID 8616858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).