2-(benzenesulfonylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine

C19H23NO3S — CID 10497720

IUPAC2-(benzenesulfonylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CS(=O)(=O)c1ccccc1)O2
InChIInChI=1S/C19H23NO3S/c1-12-13(2)18-16(14(3)17(12)20)10-19(4,23-18)11-24(21,22)15-8-6-5-7-9-15/h5-9H,10-11,20H2,1-4H3
InChIKeyXSROZPXMNBUJCC-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.36
Rot. Bonds3

About 2-(benzenesulfonylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine

2-(benzenesulfonylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine (PubChem CID 10497720) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
PubChem CID10497720
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-(benzenesulfonylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CS(=O)(=O)c1ccccc1)O2
InChIInChI=1S/C19H23NO3S/c1-12-13(2)18-16(14(3)17(12)20)10-19(4,23-18)11-24(21,22)15-8-6-5-7-9-15/h5-9H,10-11,20H2,1-4H3
InChIKeyXSROZPXMNBUJCC-UHFFFAOYSA-N
XLogP3.36
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(benzenesulfonylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine 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 2-(benzenesulfonylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The IUPAC name of 2-(benzenesulfonylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine (CID 10497720) is 2-(benzenesulfonylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for 2-(benzenesulfonylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1N)CC(C)(CS(=O)(=O)c1ccccc1)O2.
What is the InChIKey of 2-(benzenesulfonylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The InChIKey is XSROZPXMNBUJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-12-13(2)18-16(14(3)17(12)20)10-19(4,23-18)11-24(21,22)15-8-6-5-7-9-15/h5-9H,10-11,20H2,1-4H3.
What are the key properties of 2-(benzenesulfonylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
2-(benzenesulfonylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine has a molecular weight of 345.46 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10497720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).