N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide

C13H15NO4S — CID 17490399

IUPACN-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C13H15NO4S/c1-10(15)11-4-6-13(7-5-11)19(16,17)14-9-12-3-2-8-18-12/h2-8,10,14-15H,9H2,1H3
InChIKeyGMFIHQHJCPHFLG-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.81
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide

N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 17490399) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
PubChem CID17490399
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC NameN-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C13H15NO4S/c1-10(15)11-4-6-13(7-5-11)19(16,17)14-9-12-3-2-8-18-12/h2-8,10,14-15H,9H2,1H3
InChIKeyGMFIHQHJCPHFLG-UHFFFAOYSA-N
XLogP1.81
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663360
3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 45353023
4-(furan-2-ylmethylsulfamoyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709322
[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 169358880
N-(furan-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744497
2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223860
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41189111
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55347369
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617154
4-(furan-2-ylmethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 24548503

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide (CID 17490399) is N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide is CC(O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is GMFIHQHJCPHFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-10(15)11-4-6-13(7-5-11)19(16,17)14-9-12-3-2-8-18-12/h2-8,10,14-15H,9H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide?
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 281.33 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 17490399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).