ethyl 2-[(2-methyl-5-phthalazin-1-ylphenyl)sulfonylamino]acetate

C19H19N3O4S — CID 6411896

IUPACethyl 2-[(2-methyl-5-phthalazin-1-ylphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cc(-c2nncc3ccccc23)ccc1C
InChIInChI=1S/C19H19N3O4S/c1-3-26-18(23)12-21-27(24,25)17-10-14(9-8-13(17)2)19-16-7-5-4-6-15(16)11-20-22-19/h4-11,21H,3,12H2,1-2H3
InChIKeyZVYVZPZZAJFRJG-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.45
Rot. Bonds6

About ethyl 2-[(2-methyl-5-phthalazin-1-ylphenyl)sulfonylamino]acetate

ethyl 2-[(2-methyl-5-phthalazin-1-ylphenyl)sulfonylamino]acetate (PubChem CID 6411896) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-5-phthalazin-1-ylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-5-phthalazin-1-ylphenyl)sulfonylamino]acetate
PubChem CID6411896
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Nameethyl 2-[(2-methyl-5-phthalazin-1-ylphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cc(-c2nncc3ccccc23)ccc1C
InChIInChI=1S/C19H19N3O4S/c1-3-26-18(23)12-21-27(24,25)17-10-14(9-8-13(17)2)19-16-7-5-4-6-15(16)11-20-22-19/h4-11,21H,3,12H2,1-2H3
InChIKeyZVYVZPZZAJFRJG-UHFFFAOYSA-N
XLogP2.45
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-5-phthalazin-1-ylphenyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(2-methyl-5-phthalazin-1-ylphenyl)sulfonylamino]acetate (CID 6411896) is ethyl 2-[(2-methyl-5-phthalazin-1-ylphenyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-methyl-5-phthalazin-1-ylphenyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(2-methyl-5-phthalazin-1-ylphenyl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1cc(-c2nncc3ccccc23)ccc1C.
What is the InChIKey of ethyl 2-[(2-methyl-5-phthalazin-1-ylphenyl)sulfonylamino]acetate?
The InChIKey is ZVYVZPZZAJFRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-26-18(23)12-21-27(24,25)17-10-14(9-8-13(17)2)19-16-7-5-4-6-15(16)11-20-22-19/h4-11,21H,3,12H2,1-2H3.
What are the key properties of ethyl 2-[(2-methyl-5-phthalazin-1-ylphenyl)sulfonylamino]acetate?
ethyl 2-[(2-methyl-5-phthalazin-1-ylphenyl)sulfonylamino]acetate has a molecular weight of 385.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-5-phthalazin-1-ylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 6411896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).