4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide

C20H19NO3S — CID 55905638

IUPAC4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCc2occc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19NO3S/c22-25(23,21-19-7-4-8-20-18(19)13-14-24-20)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-3,5-6,9-14,19,21H,4,7-8H2
InChIKeyADAIILXFGHPIGR-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.30
Rot. Bonds4

About 4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide

4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide (PubChem CID 55905638) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide
PubChem CID55905638
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCc2occc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19NO3S/c22-25(23,21-19-7-4-8-20-18(19)13-14-24-20)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-3,5-6,9-14,19,21H,4,7-8H2
InChIKeyADAIILXFGHPIGR-UHFFFAOYSA-N
XLogP4.30
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)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-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide?
The IUPAC name of 4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide (CID 55905638) is 4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide?
The canonical SMILES for 4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide is O=S(=O)(NC1CCCc2occc21)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide?
The InChIKey is ADAIILXFGHPIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c22-25(23,21-19-7-4-8-20-18(19)13-14-24-20)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-3,5-6,9-14,19,21H,4,7-8H2.
What are the key properties of 4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide?
4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide is sourced from PubChem (CID 55905638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).