N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C16H15NO4S — CID 46807428

IUPACN-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H15NO4S/c1-11(18)14-4-2-3-5-15(14)17-22(19,20)13-6-7-16-12(10-13)8-9-21-16/h2-7,10,17H,8-9H2,1H3
InChIKeyOSAUQQHZGPSBFL-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.62
Rot. Bonds4

About N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 46807428) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID46807428
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC NameN-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H15NO4S/c1-11(18)14-4-2-3-5-15(14)17-22(19,20)13-6-7-16-12(10-13)8-9-21-16/h2-7,10,17H,8-9H2,1H3
InChIKeyOSAUQQHZGPSBFL-UHFFFAOYSA-N
XLogP2.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate
CID 110705670
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807417
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide
CID 86858443
N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 17200397
N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 110344403
N-(2-acetylphenyl)-3-methylbenzenesulfonamide
CID 24694730
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 154877409
2-[6-[(2-acetylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 30766313
4-phenyl-2-(2,3,4,5-tetrahydro-1-benzoxepin-7-ylsulfonylamino)benzoic acid
CID 158681936
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1076433
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(2-acetylphenyl)-3-fluorobenzenesulfonamide
CID 2526444

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 46807428) is N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is CC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is OSAUQQHZGPSBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-11(18)14-4-2-3-5-15(14)17-22(19,20)13-6-7-16-12(10-13)8-9-21-16/h2-7,10,17H,8-9H2,1H3.
What are the key properties of N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 46807428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).