N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C13H16N2O4S — CID 49457204

IUPACN-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H16N2O4S/c16-13-11(2-1-6-14-13)15-20(17,18)10-3-4-12-9(8-10)5-7-19-12/h3-4,8,11,15H,1-2,5-7H2,(H,14,16)
InChIKeyMLVYPXLKNGWTNR-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.18
Rot. Bonds3

About N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 49457204) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID49457204
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H16N2O4S/c16-13-11(2-1-6-14-13)15-20(17,18)10-3-4-12-9(8-10)5-7-19-12/h3-4,8,11,15H,1-2,5-7H2,(H,14,16)
InChIKeyMLVYPXLKNGWTNR-UHFFFAOYSA-N
XLogP0.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 120722266
N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126857791
N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457209
3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62092532
4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 103697534
N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43389822
3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457165
2-fluoro-5-[(2-oxopiperidin-3-yl)sulfamoyl]benzenecarbothioamide
CID 63288833
N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 54761931
3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid
CID 62091993
4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 79185146

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 49457204) is N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is O=C1NCCCC1NS(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is MLVYPXLKNGWTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c16-13-11(2-1-6-14-13)15-20(17,18)10-3-4-12-9(8-10)5-7-19-12/h3-4,8,11,15H,1-2,5-7H2,(H,14,16).
What are the key properties of N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 49457204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).