N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide

C15H16N2O4S — CID 167819030

IUPACN-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cccc3c2OCC3)cc(=O)[nH]1
InChIInChI=1S/C15H16N2O4S/c1-10-7-11(8-14(18)17-10)9-16-22(19,20)13-4-2-3-12-5-6-21-15(12)13/h2-4,7-8,16H,5-6,9H2,1H3,(H,17,18)
InChIKeySFCNENCSJVPUSG-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.10
Rot. Bonds4

About N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide

N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide (PubChem CID 167819030) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
PubChem CID167819030
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cccc3c2OCC3)cc(=O)[nH]1
InChIInChI=1S/C15H16N2O4S/c1-10-7-11(8-14(18)17-10)9-16-22(19,20)13-4-2-3-12-5-6-21-15(12)13/h2-4,7-8,16H,5-6,9H2,1H3,(H,17,18)
InChIKeySFCNENCSJVPUSG-UHFFFAOYSA-N
XLogP1.10
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide with MolForge

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Related Compounds

5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 139013810
N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 126821064
N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 125421289
N-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 138018110
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide
CID 110787130
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 110787117
4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136955750
5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 75521928
N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 126838123
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 110787119
(2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide
CID 122490834
1'-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)spiro[1,3-benzodioxole-2,3'-pyrrolidine]
CID 128851107

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The IUPAC name of N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide (CID 167819030) is N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide.
What is the SMILES notation for N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The canonical SMILES for N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide is Cc1cc(CNS(=O)(=O)c2cccc3c2OCC3)cc(=O)[nH]1.
What is the InChIKey of N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The InChIKey is SFCNENCSJVPUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-10-7-11(8-14(18)17-10)9-16-22(19,20)13-4-2-3-12-5-6-21-15(12)13/h2-4,7-8,16H,5-6,9H2,1H3,(H,17,18).
What are the key properties of N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide has a molecular weight of 320.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 167819030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).