N,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide

C13H23NO6S — CID 82940209

IUPACN,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1ccc(CO)o1
InChIInChI=1S/C13H23NO6S/c1-3-18-9-7-14(8-10-19-4-2)21(16,17)13-6-5-12(11-15)20-13/h5-6,15H,3-4,7-11H2,1-2H3
InChIKeyATHKSCHNOCIYHH-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.84
Rot. Bonds11

About N,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide

N,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide (PubChem CID 82940209) has the molecular formula C13H23NO6S and a molecular weight of 321.40 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide
PubChem CID82940209
Molecular FormulaC13H23NO6S
Molecular Weight321.40 g/mol
Exact Mass321.12
IUPAC NameN,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1ccc(CO)o1
InChIInChI=1S/C13H23NO6S/c1-3-18-9-7-14(8-10-19-4-2)21(16,17)13-6-5-12(11-15)20-13/h5-6,15H,3-4,7-11H2,1-2H3
InChIKeyATHKSCHNOCIYHH-UHFFFAOYSA-N
XLogP0.84
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide
CID 82943299
5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid
CID 63698098
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide
CID 81074904
N-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide
CID 102998456
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 81063705
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63695936
N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide
CID 82939428
N,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 3706171
N,N-bis(2-ethoxyethyl)ethanesulfonamide
CID 82952267
4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide
CID 3821573
5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
CID 81058548
N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide
CID 63691304

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide?
The IUPAC name of N,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide (CID 82940209) is N,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide is CCOCCN(CCOCC)S(=O)(=O)c1ccc(CO)o1.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide?
The InChIKey is ATHKSCHNOCIYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO6S/c1-3-18-9-7-14(8-10-19-4-2)21(16,17)13-6-5-12(11-15)20-13/h5-6,15H,3-4,7-11H2,1-2H3.
What are the key properties of N,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide?
N,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide has a molecular weight of 321.40 g/mol, XLogP of 0.84, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide is sourced from PubChem (CID 82940209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).