N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide

C16H19N3O4S — CID 56793259

IUPACN-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1n[nH]c(=O)c(CNS(=O)(=O)c2ccc3c(c2)CC(C)O3)c1C
InChIInChI=1S/C16H19N3O4S/c1-9-6-12-7-13(4-5-15(12)23-9)24(21,22)17-8-14-10(2)11(3)18-19-16(14)20/h4-5,7,9,17H,6,8H2,1-3H3,(H,19,20)
InChIKeyWLXDXTGZZGLDKD-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.19
Rot. Bonds4

About N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 56793259) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID56793259
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1n[nH]c(=O)c(CNS(=O)(=O)c2ccc3c(c2)CC(C)O3)c1C
InChIInChI=1S/C16H19N3O4S/c1-9-6-12-7-13(4-5-15(12)23-9)24(21,22)17-8-14-10(2)11(3)18-19-16(14)20/h4-5,7,9,17H,6,8H2,1-3H3,(H,19,20)
InChIKeyWLXDXTGZZGLDKD-UHFFFAOYSA-N
XLogP1.19
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 56793259) is N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide is Cc1n[nH]c(=O)c(CNS(=O)(=O)c2ccc3c(c2)CC(C)O3)c1C.
What is the InChIKey of N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is WLXDXTGZZGLDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-9-6-12-7-13(4-5-15(12)23-9)24(21,22)17-8-14-10(2)11(3)18-19-16(14)20/h4-5,7,9,17H,6,8H2,1-3H3,(H,19,20).
What are the key properties of N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 349.41 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 56793259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).