N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide

C19H15F3INO3S — CID 58133015

About N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide

N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide (PubChem CID 58133015) has the molecular formula C19H15F3INO3S and a molecular weight of 521.30 g/mol. Its IUPAC name is N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

• Compound Name: N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide
• PubChem CID: 58133015
• Molecular Formula: C19H15F3INO3S
• Molecular Weight: 521.30 g/mol
• Exact Mass: 520.98
• IUPAC Name: N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide
• SMILES: Cc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2Cc2ccc(I)cc2F)c(C)o1
• InChI: InChI=1S/C19H15F3INO3S/c1-10-7-18(11(2)27-10)28(25,26)24-17-6-5-15(20)19(22)14(17)8-12-3-4-13(23)9-16(12)21/h3-7,9,24H,8H2,1-2H3
• InChIKey: KDINHOMCSCBFJW-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 59.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.30
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide?

The IUPAC name of N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide (CID 58133015) is N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide.

What is the SMILES notation for N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide?

The canonical SMILES for N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2Cc2ccc(I)cc2F)c(C)o1.

What is the InChIKey of N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide?

The InChIKey is KDINHOMCSCBFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3INO3S/c1-10-7-18(11(2)27-10)28(25,26)24-17-6-5-15(20)19(22)14(17)8-12-3-4-13(23)9-16(12)21/h3-7,9,24H,8H2,1-2H3.

What are the key properties of N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide?

N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 521.30 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 58133015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).