2,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide

C16H15NO4S — CID 3305045

IUPAC2,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)c(C)c1
InChIInChI=1S/C16H15NO4S/c1-10-3-6-15(11(2)7-10)22(19,20)17-13-4-5-14-12(8-13)9-21-16(14)18/h3-8,17H,9H2,1-2H3
InChIKeyYJXJESJVGNCAOH-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.77
Rot. Bonds3

About 2,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide

2,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide (PubChem CID 3305045) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide
PubChem CID3305045
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC Name2,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)c(C)c1
InChIInChI=1S/C16H15NO4S/c1-10-3-6-15(11(2)7-10)22(19,20)17-13-4-5-14-12(8-13)9-21-16(14)18/h3-8,17H,9H2,1-2H3
InChIKeyYJXJESJVGNCAOH-UHFFFAOYSA-N
XLogP2.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide (CID 3305045) is 2,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide?
The InChIKey is YJXJESJVGNCAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-10-3-6-15(11(2)7-10)22(19,20)17-13-4-5-14-12(8-13)9-21-16(14)18/h3-8,17H,9H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide?
2,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide is sourced from PubChem (CID 3305045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).