[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate

C19H18N4O6S — CID 16509818

IUPAC[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
SMILESCC(OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H18N4O6S/c1-11(17(24)21-12-7-9-13(10-8-12)30(20,27)28)29-19(26)16-14-5-3-4-6-15(14)18(25)23(2)22-16/h3-11H,1-2H3,(H,21,24)(H2,20,27,28)
InChIKeyDXLWLNZRTGPJBQ-UHFFFAOYSA-N
MW430.44 g/mol
LogP0.76
Rot. Bonds5

About [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate (PubChem CID 16509818) has the molecular formula C19H18N4O6S and a molecular weight of 430.44 g/mol. Its IUPAC name is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
PubChem CID16509818
Molecular FormulaC19H18N4O6S
Molecular Weight430.44 g/mol
Exact Mass430.09
IUPAC Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
SMILESCC(OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H18N4O6S/c1-11(17(24)21-12-7-9-13(10-8-12)30(20,27)28)29-19(26)16-14-5-3-4-6-15(14)18(25)23(2)22-16/h3-11H,1-2H3,(H,21,24)(H2,20,27,28)
InChIKeyDXLWLNZRTGPJBQ-UHFFFAOYSA-N
XLogP0.76
TPSA150.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate?
The IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate (CID 16509818) is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate.
What is the SMILES notation for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate?
The canonical SMILES for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate is CC(OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate?
The InChIKey is DXLWLNZRTGPJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6S/c1-11(17(24)21-12-7-9-13(10-8-12)30(20,27)28)29-19(26)16-14-5-3-4-6-15(14)18(25)23(2)22-16/h3-11H,1-2H3,(H,21,24)(H2,20,27,28).
What are the key properties of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate?
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate has a molecular weight of 430.44 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate is sourced from PubChem (CID 16509818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).