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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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).