N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C16H18N2O5S — CID 90625226

IUPACN-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=c1ccccn1CC(O)CNS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H18N2O5S/c19-13(11-18-7-2-1-3-16(18)20)10-17-24(21,22)14-4-5-15-12(9-14)6-8-23-15/h1-5,7,9,13,17,19H,6,8,10-11H2
InChIKeyBLGKFWNREBXHLK-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.12
Rot. Bonds6

About N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 90625226) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID90625226
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=c1ccccn1CC(O)CNS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H18N2O5S/c19-13(11-18-7-2-1-3-16(18)20)10-17-24(21,22)14-4-5-15-12(9-14)6-8-23-15/h1-5,7,9,13,17,19H,6,8,10-11H2
InChIKeyBLGKFWNREBXHLK-UHFFFAOYSA-N
XLogP0.12
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 94605722
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90598926
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90582457
5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide
CID 90625206
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 65113392
N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178741
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 138042840
N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46457555
2-(2,6-dioxopiperidin-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide
CID 90625169
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 97417544
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 103838219
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 90625226) is N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is O=c1ccccn1CC(O)CNS(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is BLGKFWNREBXHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c19-13(11-18-7-2-1-3-16(18)20)10-17-24(21,22)14-4-5-15-12(9-14)6-8-23-15/h1-5,7,9,13,17,19H,6,8,10-11H2.
What are the key properties of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 350.40 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 90625226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).