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

C11H12N2O3S — CID 16788138

IUPAC2-amino-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C11H12N2O3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8,12H2
InChIKeyCGJSCNSPWZXPHW-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.34
Rot. Bonds4

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

2-amino-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 16788138) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-amino-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID16788138
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name2-amino-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C11H12N2O3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8,12H2
InChIKeyCGJSCNSPWZXPHW-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 2-amino-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(furan-2-ylmethyl)benzenesulfonamide (CID 16788138) is 2-amino-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(furan-2-ylmethyl)benzenesulfonamide is Nc1ccccc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of 2-amino-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is CGJSCNSPWZXPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8,12H2.
What are the key properties of 2-amino-N-(furan-2-ylmethyl)benzenesulfonamide?
2-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 2-amino-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 16788138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).