6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine

C18H20N4O5S — CID 157040030

IUPAC6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine
SMILESCOc1cc2c(-c3ccc(CNS(N)(=O)=O)cc3)nn(C)c(=O)c2cc1OC
InChIInChI=1S/C18H20N4O5S/c1-22-18(23)14-9-16(27-3)15(26-2)8-13(14)17(21-22)12-6-4-11(5-7-12)10-20-28(19,24)25/h4-9,20H,10H2,1-3H3,(H2,19,24,25)
InChIKeyADEOTKREDOVBCK-UHFFFAOYSA-N
MW404.45 g/mol
LogP0.91
Rot. Bonds6

About 6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine

6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine (PubChem CID 157040030) has the molecular formula C18H20N4O5S and a molecular weight of 404.45 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine
PubChem CID157040030
Molecular FormulaC18H20N4O5S
Molecular Weight404.45 g/mol
Exact Mass404.12
IUPAC Name6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine
SMILESCOc1cc2c(-c3ccc(CNS(N)(=O)=O)cc3)nn(C)c(=O)c2cc1OC
InChIInChI=1S/C18H20N4O5S/c1-22-18(23)14-9-16(27-3)15(26-2)8-13(14)17(21-22)12-6-4-11(5-7-12)10-20-28(19,24)25/h4-9,20H,10H2,1-3H3,(H2,19,24,25)
InChIKeyADEOTKREDOVBCK-UHFFFAOYSA-N
XLogP0.91
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine?
The IUPAC name of 6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine (CID 157040030) is 6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine?
The canonical SMILES for 6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine is COc1cc2c(-c3ccc(CNS(N)(=O)=O)cc3)nn(C)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine?
The InChIKey is ADEOTKREDOVBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5S/c1-22-18(23)14-9-16(27-3)15(26-2)8-13(14)17(21-22)12-6-4-11(5-7-12)10-20-28(19,24)25/h4-9,20H,10H2,1-3H3,(H2,19,24,25).
What are the key properties of 6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine?
6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine has a molecular weight of 404.45 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine is sourced from PubChem (CID 157040030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).