N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide

C13H12F2N2O4S — CID 31820162

IUPACN-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cc(F)ccc1F)c1ccco1
InChIInChI=1S/C13H12F2N2O4S/c14-9-3-4-10(15)12(8-9)22(19,20)17-6-5-16-13(18)11-2-1-7-21-11/h1-4,7-8,17H,5-6H2,(H,16,18)
InChIKeyDQCDXSPPCRRCJX-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.27
Rot. Bonds6

About N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide

N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide (PubChem CID 31820162) has the molecular formula C13H12F2N2O4S and a molecular weight of 330.31 g/mol. Its IUPAC name is N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide
PubChem CID31820162
Molecular FormulaC13H12F2N2O4S
Molecular Weight330.31 g/mol
Exact Mass330.05
IUPAC NameN-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cc(F)ccc1F)c1ccco1
InChIInChI=1S/C13H12F2N2O4S/c14-9-3-4-10(15)12(8-9)22(19,20)17-6-5-16-13(18)11-2-1-7-21-11/h1-4,7-8,17H,5-6H2,(H,16,18)
InChIKeyDQCDXSPPCRRCJX-UHFFFAOYSA-N
XLogP1.27
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-ethylsulfonylphenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 55871013
N-[2-(ethenylsulfonylamino)ethyl]furan-2-carboxamide
CID 167799854
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
CID 113071817
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 19680959
2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 40753479
N-(2,5-difluorophenyl)furan-2-carboxamide
CID 2711385
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 31819893
N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide
CID 34446965
N-[2-[(3,4,5-trihydroxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 108538997
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide
CID 113102920

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide (CID 31820162) is N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide is O=C(NCCNS(=O)(=O)c1cc(F)ccc1F)c1ccco1.
What is the InChIKey of N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide?
The InChIKey is DQCDXSPPCRRCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O4S/c14-9-3-4-10(15)12(8-9)22(19,20)17-6-5-16-13(18)11-2-1-7-21-11/h1-4,7-8,17H,5-6H2,(H,16,18).
What are the key properties of N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide?
N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 31820162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).