7-iodo-N-(2-methoxy-5-methylphenyl)-1-benzofuran-5-sulfonamide

C16H14INO4S — CID 66892506

IUPAC7-iodo-N-(2-methoxy-5-methylphenyl)-1-benzofuran-5-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cc(I)c2occc2c1
InChIInChI=1S/C16H14INO4S/c1-10-3-4-15(21-2)14(7-10)18-23(19,20)12-8-11-5-6-22-16(11)13(17)9-12/h3-9,18H,1-2H3
InChIKeyFKXGWPRXNUNVDV-UHFFFAOYSA-N
MW443.26 g/mol
LogP4.16
Rot. Bonds4

About 7-iodo-N-(2-methoxy-5-methylphenyl)-1-benzofuran-5-sulfonamide

7-iodo-N-(2-methoxy-5-methylphenyl)-1-benzofuran-5-sulfonamide (PubChem CID 66892506) has the molecular formula C16H14INO4S and a molecular weight of 443.26 g/mol. Its IUPAC name is 7-iodo-N-(2-methoxy-5-methylphenyl)-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound Name7-iodo-N-(2-methoxy-5-methylphenyl)-1-benzofuran-5-sulfonamide
PubChem CID66892506
Molecular FormulaC16H14INO4S
Molecular Weight443.26 g/mol
Exact Mass442.97
IUPAC Name7-iodo-N-(2-methoxy-5-methylphenyl)-1-benzofuran-5-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cc(I)c2occc2c1
InChIInChI=1S/C16H14INO4S/c1-10-3-4-15(21-2)14(7-10)18-23(19,20)12-8-11-5-6-22-16(11)13(17)9-12/h3-9,18H,1-2H3
InChIKeyFKXGWPRXNUNVDV-UHFFFAOYSA-N
XLogP4.16
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-N-(2-methoxy-5-methylphenyl)-1-benzofuran-5-sulfonamide?
The IUPAC name of 7-iodo-N-(2-methoxy-5-methylphenyl)-1-benzofuran-5-sulfonamide (CID 66892506) is 7-iodo-N-(2-methoxy-5-methylphenyl)-1-benzofuran-5-sulfonamide.
What is the SMILES notation for 7-iodo-N-(2-methoxy-5-methylphenyl)-1-benzofuran-5-sulfonamide?
The canonical SMILES for 7-iodo-N-(2-methoxy-5-methylphenyl)-1-benzofuran-5-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1cc(I)c2occc2c1.
What is the InChIKey of 7-iodo-N-(2-methoxy-5-methylphenyl)-1-benzofuran-5-sulfonamide?
The InChIKey is FKXGWPRXNUNVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO4S/c1-10-3-4-15(21-2)14(7-10)18-23(19,20)12-8-11-5-6-22-16(11)13(17)9-12/h3-9,18H,1-2H3.
What are the key properties of 7-iodo-N-(2-methoxy-5-methylphenyl)-1-benzofuran-5-sulfonamide?
7-iodo-N-(2-methoxy-5-methylphenyl)-1-benzofuran-5-sulfonamide has a molecular weight of 443.26 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-N-(2-methoxy-5-methylphenyl)-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 66892506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).