4-(5-methoxy-2-phenylfuran-3-yl)benzenesulfonamide

C17H15NO4S — CID 102167234

IUPAC4-(5-methoxy-2-phenylfuran-3-yl)benzenesulfonamide
SMILESCOc1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)o1
InChIInChI=1S/C17H15NO4S/c1-21-16-11-15(17(22-16)13-5-3-2-4-6-13)12-7-9-14(10-8-12)23(18,19)20/h2-11H,1H3,(H2,18,19,20)
InChIKeyCGSQLVIEPSYCQM-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.27
Rot. Bonds4

About 4-(5-methoxy-2-phenylfuran-3-yl)benzenesulfonamide

4-(5-methoxy-2-phenylfuran-3-yl)benzenesulfonamide (PubChem CID 102167234) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-(5-methoxy-2-phenylfuran-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-methoxy-2-phenylfuran-3-yl)benzenesulfonamide
PubChem CID102167234
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name4-(5-methoxy-2-phenylfuran-3-yl)benzenesulfonamide
SMILESCOc1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)o1
InChIInChI=1S/C17H15NO4S/c1-21-16-11-15(17(22-16)13-5-3-2-4-6-13)12-7-9-14(10-8-12)23(18,19)20/h2-11H,1H3,(H2,18,19,20)
InChIKeyCGSQLVIEPSYCQM-UHFFFAOYSA-N
XLogP3.27
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-phenylfuran-3-yl)benzenesulfonamide?
The IUPAC name of 4-(5-methoxy-2-phenylfuran-3-yl)benzenesulfonamide (CID 102167234) is 4-(5-methoxy-2-phenylfuran-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-methoxy-2-phenylfuran-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-methoxy-2-phenylfuran-3-yl)benzenesulfonamide is COc1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)o1.
What is the InChIKey of 4-(5-methoxy-2-phenylfuran-3-yl)benzenesulfonamide?
The InChIKey is CGSQLVIEPSYCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-21-16-11-15(17(22-16)13-5-3-2-4-6-13)12-7-9-14(10-8-12)23(18,19)20/h2-11H,1H3,(H2,18,19,20).
What are the key properties of 4-(5-methoxy-2-phenylfuran-3-yl)benzenesulfonamide?
4-(5-methoxy-2-phenylfuran-3-yl)benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2-phenylfuran-3-yl)benzenesulfonamide is sourced from PubChem (CID 102167234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).