1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide

C11H12N2O3S — CID 114262631

IUPAC1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1ccc2c(c1)COC2
InChIInChI=1S/C11H12N2O3S/c1-8(5-12)17(14,15)13-11-3-2-9-6-16-7-10(9)4-11/h2-4,8,13H,6-7H2,1H3
InChIKeyINUZYCDSRJBQME-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.37
Rot. Bonds3

About 1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide

1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide (PubChem CID 114262631) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide
PubChem CID114262631
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1ccc2c(c1)COC2
InChIInChI=1S/C11H12N2O3S/c1-8(5-12)17(14,15)13-11-3-2-9-6-16-7-10(9)4-11/h2-4,8,13H,6-7H2,1H3
InChIKeyINUZYCDSRJBQME-UHFFFAOYSA-N
XLogP1.37
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide?
The IUPAC name of 1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide (CID 114262631) is 1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide?
The canonical SMILES for 1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide is CC(C#N)S(=O)(=O)Nc1ccc2c(c1)COC2.
What is the InChIKey of 1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide?
The InChIKey is INUZYCDSRJBQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-8(5-12)17(14,15)13-11-3-2-9-6-16-7-10(9)4-11/h2-4,8,13H,6-7H2,1H3.
What are the key properties of 1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide?
1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide has a molecular weight of 252.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide is sourced from PubChem (CID 114262631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).