N-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide

C13H11F3N2O4S — CID 47071888

IUPACN-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccc(F)c(F)c1F)c1ccoc1
InChIInChI=1S/C13H11F3N2O4S/c14-9-1-2-10(12(16)11(9)15)23(20,21)18-5-4-17-13(19)8-3-6-22-7-8/h1-3,6-7,18H,4-5H2,(H,17,19)
InChIKeyOAUSDJSDFXIYKI-UHFFFAOYSA-N
MW348.30 g/mol
LogP1.41
Rot. Bonds6

About N-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide

N-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide (PubChem CID 47071888) has the molecular formula C13H11F3N2O4S and a molecular weight of 348.30 g/mol. Its IUPAC name is N-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide
PubChem CID47071888
Molecular FormulaC13H11F3N2O4S
Molecular Weight348.30 g/mol
Exact Mass348.04
IUPAC NameN-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccc(F)c(F)c1F)c1ccoc1
InChIInChI=1S/C13H11F3N2O4S/c14-9-1-2-10(12(16)11(9)15)23(20,21)18-5-4-17-13(19)8-3-6-22-7-8/h1-3,6-7,18H,4-5H2,(H,17,19)
InChIKeyOAUSDJSDFXIYKI-UHFFFAOYSA-N
XLogP1.41
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide
CID 51125449
2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502000
2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107319503
N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide
CID 47071758
N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide
CID 55648350
N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide
CID 47071893
N-(4,4-dimethylpentyl)furan-3-carboxamide
CID 20774387
N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 31820162
N-pentylfuran-3-carboxamide
CID 91139562
N-(2-tert-butylsulfanylethyl)-2,3,4-trifluorobenzenesulfonamide
CID 3682594
2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 104600560
N-decylfuran-3-carboxamide
CID 117059205

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide (CID 47071888) is N-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide is O=C(NCCNS(=O)(=O)c1ccc(F)c(F)c1F)c1ccoc1.
What is the InChIKey of N-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide?
The InChIKey is OAUSDJSDFXIYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O4S/c14-9-1-2-10(12(16)11(9)15)23(20,21)18-5-4-17-13(19)8-3-6-22-7-8/h1-3,6-7,18H,4-5H2,(H,17,19).
What are the key properties of N-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide?
N-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide has a molecular weight of 348.30 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide is sourced from PubChem (CID 47071888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).