4-bromo-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide

C13H14BrNO3S — CID 90536216

IUPAC4-bromo-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(Br)cc2)c(C)o1
InChIInChI=1S/C13H14BrNO3S/c1-9-7-11(10(2)18-9)8-15-19(16,17)13-5-3-12(14)4-6-13/h3-7,15H,8H2,1-2H3
InChIKeyHTWQFRUHIIQGJA-UHFFFAOYSA-N
MW344.23 g/mol
LogP3.14
Rot. Bonds4

About 4-bromo-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide

4-bromo-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide (PubChem CID 90536216) has the molecular formula C13H14BrNO3S and a molecular weight of 344.23 g/mol. Its IUPAC name is 4-bromo-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide
PubChem CID90536216
Molecular FormulaC13H14BrNO3S
Molecular Weight344.23 g/mol
Exact Mass342.99
IUPAC Name4-bromo-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(Br)cc2)c(C)o1
InChIInChI=1S/C13H14BrNO3S/c1-9-7-11(10(2)18-9)8-15-19(16,17)13-5-3-12(14)4-6-13/h3-7,15H,8H2,1-2H3
InChIKeyHTWQFRUHIIQGJA-UHFFFAOYSA-N
XLogP3.14
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide (CID 90536216) is 4-bromo-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide is Cc1cc(CNS(=O)(=O)c2ccc(Br)cc2)c(C)o1.
What is the InChIKey of 4-bromo-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide?
The InChIKey is HTWQFRUHIIQGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3S/c1-9-7-11(10(2)18-9)8-15-19(16,17)13-5-3-12(14)4-6-13/h3-7,15H,8H2,1-2H3.
What are the key properties of 4-bromo-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide?
4-bromo-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide has a molecular weight of 344.23 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 90536216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).