4-(furan-2-ylmethylamino)benzenesulfonamide

C11H12N2O3S — CID 3059601

IUPAC4-(furan-2-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2ccco2)cc1
InChIInChI=1S/C11H12N2O3S/c12-17(14,15)11-5-3-9(4-6-11)13-8-10-2-1-7-16-10/h1-7,13H,8H2,(H2,12,14,15)
InChIKeyGTFXUNQMJHDIRE-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.54
Rot. Bonds4

About 4-(furan-2-ylmethylamino)benzenesulfonamide

4-(furan-2-ylmethylamino)benzenesulfonamide (PubChem CID 3059601) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylamino)benzenesulfonamide
PubChem CID3059601
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name4-(furan-2-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2ccco2)cc1
InChIInChI=1S/C11H12N2O3S/c12-17(14,15)11-5-3-9(4-6-11)13-8-10-2-1-7-16-10/h1-7,13H,8H2,(H2,12,14,15)
InChIKeyGTFXUNQMJHDIRE-UHFFFAOYSA-N
XLogP1.54
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Furan-2-yl-N-(4-sulfamoylphenyl)acrylamide
CID 768666
1-Furfuryl-3-phenyl-2-thiourea
CID 689750
1-(Furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea
CID 71273628
N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]furan-2-carboxamide
CID 4597423
N-[(furan-2-yl)methyl]aniline
CID 57541
4-amino-N-(furan-2-ylmethyl)benzene-1-sulfonamide
CID 2056585
4-{[3-(2-Furyl)-3-oxo-1-propenyl]amino}benzenesulfonamide
CID 871981
3-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168294418
(2E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 712926
(2E)-2-cyano-3-(2-furyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 788171
[2-Oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
CID 2389466
N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2704666

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-(furan-2-ylmethylamino)benzenesulfonamide (CID 3059601) is 4-(furan-2-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-(furan-2-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-(furan-2-ylmethylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NCc2ccco2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylamino)benzenesulfonamide?
The InChIKey is GTFXUNQMJHDIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c12-17(14,15)11-5-3-9(4-6-11)13-8-10-2-1-7-16-10/h1-7,13H,8H2,(H2,12,14,15).
What are the key properties of 4-(furan-2-ylmethylamino)benzenesulfonamide?
4-(furan-2-ylmethylamino)benzenesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 3059601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).