N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane

C19H21NO4S — CID 159173553

IUPACN-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane
SMILESCC.CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C17H15NO4S.C2H6/c1-11(19)17-12(2)22-16-9-8-13(10-15(16)17)18-23(20,21)14-6-4-3-5-7-14;1-2/h3-10,18H,1-2H3;1-2H3
InChIKeyKLZLYNTYKVXVOV-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.77
Rot. Bonds4

About N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane (PubChem CID 159173553) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane.

Molecular Properties

Compound NameN-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane
PubChem CID159173553
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC NameN-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane
SMILESCC.CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C17H15NO4S.C2H6/c1-11(19)17-12(2)22-16-9-8-13(10-15(16)17)18-23(20,21)14-6-4-3-5-7-14;1-2/h3-10,18H,1-2H3;1-2H3
InChIKeyKLZLYNTYKVXVOV-UHFFFAOYSA-N
XLogP4.77
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-methoxybenzenesulfonamide
CID 1098492
propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
CID 25043109
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,5-dimethylbenzenesulfonamide
CID 1110209
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,4,5-trichlorobenzenesulfonamide
CID 1304958
2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25037862
N-[3-(benzenesulfonamido)phenyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 60514662
methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 1304159
ethane;formaldehyde;1-[2-methyl-5-(4-methylanilino)-1-benzofuran-3-yl]ethanone
CID 143221810
methyl 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 2938246
propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 25039522
(2Z,4E)-N-(3-acetyl-2-methyl-1-benzofuran-5-yl)hepta-2,4-diene-4-sulfonamide
CID 126590672
2-methyl-5-(propylsulfonylamino)-1-benzofuran-3-carboxylic acid
CID 28916619

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane?
The IUPAC name of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane (CID 159173553) is N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane.
What is the SMILES notation for N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane?
The canonical SMILES for N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane is CC.CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12.
What is the InChIKey of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane?
The InChIKey is KLZLYNTYKVXVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S.C2H6/c1-11(19)17-12(2)22-16-9-8-13(10-15(16)17)18-23(20,21)14-6-4-3-5-7-14;1-2/h3-10,18H,1-2H3;1-2H3.
What are the key properties of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane?
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane has a molecular weight of 359.45 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane is sourced from PubChem (CID 159173553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).