4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide

C17H17NO4S — CID 110751853

IUPAC4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC2COc3ccccc32)cc1
InChIInChI=1S/C17H17NO4S/c1-12(19)13-6-8-15(9-7-13)23(20,21)18-10-14-11-22-17-5-3-2-4-16(14)17/h2-9,14,18H,10-11H2,1H3
InChIKeyFUALWYKSGHXLDL-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.34
Rot. Bonds5

About 4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide

4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide (PubChem CID 110751853) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is 4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide
PubChem CID110751853
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC2COc3ccccc32)cc1
InChIInChI=1S/C17H17NO4S/c1-12(19)13-6-8-15(9-7-13)23(20,21)18-10-14-11-22-17-5-3-2-4-16(14)17/h2-9,14,18H,10-11H2,1H3
InChIKeyFUALWYKSGHXLDL-UHFFFAOYSA-N
XLogP2.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-2H-chromen-4-ylmethylsulfamoyl)benzoic acid
CID 110709324
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
4-acetyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenesulfonamide
CID 51114055
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 126766920
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide
CID 110751818
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide
CID 47439938
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide
CID 110751726
1-[3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]ethanone
CID 79229444
N-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 126768596
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 126795649

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide (CID 110751853) is 4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCC2COc3ccccc32)cc1.
What is the InChIKey of 4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide?
The InChIKey is FUALWYKSGHXLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-12(19)13-6-8-15(9-7-13)23(20,21)18-10-14-11-22-17-5-3-2-4-16(14)17/h2-9,14,18H,10-11H2,1H3.
What are the key properties of 4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide?
4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide has a molecular weight of 331.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110751853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).