3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

C13H14FNO4S — CID 934514

IUPAC3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCc2ccco2)ccc1F
InChIInChI=1S/C13H14FNO4S/c1-2-18-13-8-11(5-6-12(13)14)20(16,17)15-9-10-4-3-7-19-10/h3-8,15H,2,9H2,1H3
InChIKeyHAESOYIMTAFDNY-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.30
Rot. Bonds6

About 3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 934514) has the molecular formula C13H14FNO4S and a molecular weight of 299.32 g/mol. Its IUPAC name is 3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID934514
Molecular FormulaC13H14FNO4S
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCc2ccco2)ccc1F
InChIInChI=1S/C13H14FNO4S/c1-2-18-13-8-11(5-6-12(13)14)20(16,17)15-9-10-4-3-7-19-10/h3-8,15H,2,9H2,1H3
InChIKeyHAESOYIMTAFDNY-UHFFFAOYSA-N
XLogP2.30
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide
CID 16645093
5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
CID 934715
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide
CID 29203647
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55347369
4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 91625585
5-(furan-2-ylmethylsulfamoyl)-2-methoxybenzamide
CID 34027934
N-[5-(furan-2-ylmethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 2991258
4-ethoxy-3-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide
CID 171140383
N-(3,4-difluorophenyl)-2-fluoro-5-(furan-2-ylmethylsulfamoyl)benzamide
CID 4115156
N-(furan-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744497
2-ethoxy-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 2534066

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (CID 934514) is 3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is CCOc1cc(S(=O)(=O)NCc2ccco2)ccc1F.
What is the InChIKey of 3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is HAESOYIMTAFDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4S/c1-2-18-13-8-11(5-6-12(13)14)20(16,17)15-9-10-4-3-7-19-10/h3-8,15H,2,9H2,1H3.
What are the key properties of 3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 299.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 934514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).