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

C13H11F3N2O5S — CID 24662232

IUPAC2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNS(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O5S/c1-8-11(5-6-22-8)12(19)17-18-24(20,21)10-4-2-3-9(7-10)23-13(14,15)16/h2-7,18H,1H3,(H,17,19)
InChIKeyUUKRKASJFQZWCZ-UHFFFAOYSA-N
MW364.30 g/mol
LogP2.11
Rot. Bonds5

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

2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide (PubChem CID 24662232) has the molecular formula C13H11F3N2O5S and a molecular weight of 364.30 g/mol. Its IUPAC name is 2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide
PubChem CID24662232
Molecular FormulaC13H11F3N2O5S
Molecular Weight364.30 g/mol
Exact Mass364.03
IUPAC Name2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNS(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O5S/c1-8-11(5-6-22-8)12(19)17-18-24(20,21)10-4-2-3-9(7-10)23-13(14,15)16/h2-7,18H,1H3,(H,17,19)
InChIKeyUUKRKASJFQZWCZ-UHFFFAOYSA-N
XLogP2.11
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-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

3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 24662326
ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate
CID 8615778
N'-[3-(trifluoromethoxy)phenyl]sulfonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 31777309
N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 86922473
2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 61263224
2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide
CID 8615831
2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide
CID 807989
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
N'-(2-methylfuran-3-carbonyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbohydrazide
CID 46583825
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 60726679
2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 8523928
N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide
CID 8615856

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide (CID 24662232) is 2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide is Cc1occc1C(=O)NNS(=O)(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide?
The InChIKey is UUKRKASJFQZWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O5S/c1-8-11(5-6-22-8)12(19)17-18-24(20,21)10-4-2-3-9(7-10)23-13(14,15)16/h2-7,18H,1H3,(H,17,19).
What are the key properties of 2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide?
2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide has a molecular weight of 364.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide is sourced from PubChem (CID 24662232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).