N-(1-oxo-3H-2-benzofuran-5-yl)methanesulfonamide

C9H9NO4S — CID 839765

IUPACN-(1-oxo-3H-2-benzofuran-5-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)COC2=O
InChIInChI=1S/C9H9NO4S/c1-15(12,13)10-7-2-3-8-6(4-7)5-14-9(8)11/h2-4,10H,5H2,1H3
InChIKeyKKHBHZACNYKPCW-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.73
Rot. Bonds2

About N-(1-oxo-3H-2-benzofuran-5-yl)methanesulfonamide

N-(1-oxo-3H-2-benzofuran-5-yl)methanesulfonamide (PubChem CID 839765) has the molecular formula C9H9NO4S and a molecular weight of 227.24 g/mol. Its IUPAC name is N-(1-oxo-3H-2-benzofuran-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-oxo-3H-2-benzofuran-5-yl)methanesulfonamide
PubChem CID839765
Molecular FormulaC9H9NO4S
Molecular Weight227.24 g/mol
Exact Mass227.03
IUPAC NameN-(1-oxo-3H-2-benzofuran-5-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)COC2=O
InChIInChI=1S/C9H9NO4S/c1-15(12,13)10-7-2-3-8-6(4-7)5-14-9(8)11/h2-4,10H,5H2,1H3
InChIKeyKKHBHZACNYKPCW-UHFFFAOYSA-N
XLogP0.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3H-2-benzofuran-5-yl)methanesulfonamide?
The IUPAC name of N-(1-oxo-3H-2-benzofuran-5-yl)methanesulfonamide (CID 839765) is N-(1-oxo-3H-2-benzofuran-5-yl)methanesulfonamide.
What is the SMILES notation for N-(1-oxo-3H-2-benzofuran-5-yl)methanesulfonamide?
The canonical SMILES for N-(1-oxo-3H-2-benzofuran-5-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)COC2=O.
What is the InChIKey of N-(1-oxo-3H-2-benzofuran-5-yl)methanesulfonamide?
The InChIKey is KKHBHZACNYKPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4S/c1-15(12,13)10-7-2-3-8-6(4-7)5-14-9(8)11/h2-4,10H,5H2,1H3.
What are the key properties of N-(1-oxo-3H-2-benzofuran-5-yl)methanesulfonamide?
N-(1-oxo-3H-2-benzofuran-5-yl)methanesulfonamide has a molecular weight of 227.24 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3H-2-benzofuran-5-yl)methanesulfonamide is sourced from PubChem (CID 839765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).