N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide

C14H13F3N2O5S — CID 51125449

IUPACN-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccoc1
InChIInChI=1S/C14H13F3N2O5S/c15-14(16,17)24-11-3-1-2-4-12(11)25(21,22)19-7-6-18-13(20)10-5-8-23-9-10/h1-5,8-9,19H,6-7H2,(H,18,20)
InChIKeyQCZVVDKYYTZBFP-UHFFFAOYSA-N
MW378.33 g/mol
LogP1.89
Rot. Bonds7

About N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide

N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide (PubChem CID 51125449) has the molecular formula C14H13F3N2O5S and a molecular weight of 378.33 g/mol. Its IUPAC name is N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide
PubChem CID51125449
Molecular FormulaC14H13F3N2O5S
Molecular Weight378.33 g/mol
Exact Mass378.05
IUPAC NameN-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccoc1
InChIInChI=1S/C14H13F3N2O5S/c15-14(16,17)24-11-3-1-2-4-12(11)25(21,22)19-7-6-18-13(20)10-5-8-23-9-10/h1-5,8-9,19H,6-7H2,(H,18,20)
InChIKeyQCZVVDKYYTZBFP-UHFFFAOYSA-N
XLogP1.89
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide
CID 31816943
N-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide
CID 47071888
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048
N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122244881
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
CID 43242362
N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide
CID 60539441
N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 47062308
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 124876866
N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 43605972
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 31068795
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 63731279

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide (CID 51125449) is N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide is O=C(NCCNS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccoc1.
What is the InChIKey of N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide?
The InChIKey is QCZVVDKYYTZBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O5S/c15-14(16,17)24-11-3-1-2-4-12(11)25(21,22)19-7-6-18-13(20)10-5-8-23-9-10/h1-5,8-9,19H,6-7H2,(H,18,20).
What are the key properties of N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide?
N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide has a molecular weight of 378.33 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide is sourced from PubChem (CID 51125449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).