N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide

C14H16N2O7S2 — CID 110345927

IUPACN-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(CCNS(=O)(=O)c1ccc2c(c1)OCO2)NCc1ccco1
InChIInChI=1S/C14H16N2O7S2/c17-24(18,16-9-11-2-1-6-21-11)7-5-15-25(19,20)12-3-4-13-14(8-12)23-10-22-13/h1-4,6,8,15-16H,5,7,9-10H2
InChIKeyJRFITKWENLNSML-UHFFFAOYSA-N
MW388.42 g/mol
LogP0.41
Rot. Bonds8

About N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide

N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 110345927) has the molecular formula C14H16N2O7S2 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID110345927
Molecular FormulaC14H16N2O7S2
Molecular Weight388.42 g/mol
Exact Mass388.04
IUPAC NameN-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(CCNS(=O)(=O)c1ccc2c(c1)OCO2)NCc1ccco1
InChIInChI=1S/C14H16N2O7S2/c17-24(18,16-9-11-2-1-6-21-11)7-5-15-25(19,20)12-3-4-13-14(8-12)23-10-22-13/h1-4,6,8,15-16H,5,7,9-10H2
InChIKeyJRFITKWENLNSML-UHFFFAOYSA-N
XLogP0.41
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide
CID 110345911
N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705597
N-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110287737
N-[(Z)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6218263
(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 17412142
N-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide
CID 110287605
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 113053957
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17451134
N-(2-propan-2-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 110602847
N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110731592
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide (CID 110345927) is N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide is O=S(=O)(CCNS(=O)(=O)c1ccc2c(c1)OCO2)NCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is JRFITKWENLNSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O7S2/c17-24(18,16-9-11-2-1-6-21-11)7-5-15-25(19,20)12-3-4-13-14(8-12)23-10-22-13/h1-4,6,8,15-16H,5,7,9-10H2.
What are the key properties of N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide?
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 388.42 g/mol, XLogP of 0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110345927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).