3-amino-N-(furan-2-ylmethyl)benzenesulfonamide

C11H12N2O3S — CID 2947746

IUPAC3-amino-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C11H12N2O3S/c12-9-3-1-5-11(7-9)17(14,15)13-8-10-4-2-6-16-10/h1-7,13H,8,12H2
InChIKeyHGEBFZLOXJIJHK-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.34
Rot. Bonds4

About 3-amino-N-(furan-2-ylmethyl)benzenesulfonamide

3-amino-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 2947746) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-amino-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID2947746
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name3-amino-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C11H12N2O3S/c12-9-3-1-5-11(7-9)17(14,15)13-8-10-4-2-6-16-10/h1-7,13H,8,12H2
InChIKeyHGEBFZLOXJIJHK-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(furan-2-ylmethyl)benzenesulfonamide (CID 2947746) is 3-amino-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(furan-2-ylmethyl)benzenesulfonamide is Nc1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of 3-amino-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is HGEBFZLOXJIJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c12-9-3-1-5-11(7-9)17(14,15)13-8-10-4-2-6-16-10/h1-7,13H,8,12H2.
What are the key properties of 3-amino-N-(furan-2-ylmethyl)benzenesulfonamide?
3-amino-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2947746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).