5-[(6,7-dimethoxy-3-methyl-4-oxophthalazin-1-yl)methyl]-2,3-dihydroindole-1-sulfonamide;hydrochloride

C20H23ClN4O5S — CID 157040216

IUPAC5-[(6,7-dimethoxy-3-methyl-4-oxophthalazin-1-yl)methyl]-2,3-dihydroindole-1-sulfonamide;hydrochloride
SMILESCOc1cc2c(Cc3ccc4c(c3)CCN4S(N)(=O)=O)nn(C)c(=O)c2cc1OC.Cl
InChIInChI=1S/C20H22N4O5S.ClH/c1-23-20(25)15-11-19(29-3)18(28-2)10-14(15)16(22-23)9-12-4-5-17-13(8-12)6-7-24(17)30(21,26)27;/h4-5,8,10-11H,6-7,9H2,1-3H3,(H2,21,26,27);1H
InChIKeyULPZHNGNQFSVJY-UHFFFAOYSA-N
MW466.95 g/mol
LogP1.53
Rot. Bonds5

About 5-[(6,7-dimethoxy-3-methyl-4-oxophthalazin-1-yl)methyl]-2,3-dihydroindole-1-sulfonamide;hydrochloride

5-[(6,7-dimethoxy-3-methyl-4-oxophthalazin-1-yl)methyl]-2,3-dihydroindole-1-sulfonamide;hydrochloride (PubChem CID 157040216) has the molecular formula C20H23ClN4O5S and a molecular weight of 466.95 g/mol. Its IUPAC name is 5-[(6,7-dimethoxy-3-methyl-4-oxophthalazin-1-yl)methyl]-2,3-dihydroindole-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-[(6,7-dimethoxy-3-methyl-4-oxophthalazin-1-yl)methyl]-2,3-dihydroindole-1-sulfonamide;hydrochloride
PubChem CID157040216
Molecular FormulaC20H23ClN4O5S
Molecular Weight466.95 g/mol
Exact Mass466.11
IUPAC Name5-[(6,7-dimethoxy-3-methyl-4-oxophthalazin-1-yl)methyl]-2,3-dihydroindole-1-sulfonamide;hydrochloride
SMILESCOc1cc2c(Cc3ccc4c(c3)CCN4S(N)(=O)=O)nn(C)c(=O)c2cc1OC.Cl
InChIInChI=1S/C20H22N4O5S.ClH/c1-23-20(25)15-11-19(29-3)18(28-2)10-14(15)16(22-23)9-12-4-5-17-13(8-12)6-7-24(17)30(21,26)27;/h4-5,8,10-11H,6-7,9H2,1-3H3,(H2,21,26,27);1H
InChIKeyULPZHNGNQFSVJY-UHFFFAOYSA-N
XLogP1.53
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(6,7-dimethoxy-3-methyl-4-oxophthalazin-1-yl)methyl]-2,3-dihydroindole-1-sulfonamide;hydrochloride?
The IUPAC name of 5-[(6,7-dimethoxy-3-methyl-4-oxophthalazin-1-yl)methyl]-2,3-dihydroindole-1-sulfonamide;hydrochloride (CID 157040216) is 5-[(6,7-dimethoxy-3-methyl-4-oxophthalazin-1-yl)methyl]-2,3-dihydroindole-1-sulfonamide;hydrochloride.
What is the SMILES notation for 5-[(6,7-dimethoxy-3-methyl-4-oxophthalazin-1-yl)methyl]-2,3-dihydroindole-1-sulfonamide;hydrochloride?
The canonical SMILES for 5-[(6,7-dimethoxy-3-methyl-4-oxophthalazin-1-yl)methyl]-2,3-dihydroindole-1-sulfonamide;hydrochloride is COc1cc2c(Cc3ccc4c(c3)CCN4S(N)(=O)=O)nn(C)c(=O)c2cc1OC.Cl.
What is the InChIKey of 5-[(6,7-dimethoxy-3-methyl-4-oxophthalazin-1-yl)methyl]-2,3-dihydroindole-1-sulfonamide;hydrochloride?
The InChIKey is ULPZHNGNQFSVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S.ClH/c1-23-20(25)15-11-19(29-3)18(28-2)10-14(15)16(22-23)9-12-4-5-17-13(8-12)6-7-24(17)30(21,26)27;/h4-5,8,10-11H,6-7,9H2,1-3H3,(H2,21,26,27);1H.
What are the key properties of 5-[(6,7-dimethoxy-3-methyl-4-oxophthalazin-1-yl)methyl]-2,3-dihydroindole-1-sulfonamide;hydrochloride?
5-[(6,7-dimethoxy-3-methyl-4-oxophthalazin-1-yl)methyl]-2,3-dihydroindole-1-sulfonamide;hydrochloride has a molecular weight of 466.95 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,7-dimethoxy-3-methyl-4-oxophthalazin-1-yl)methyl]-2,3-dihydroindole-1-sulfonamide;hydrochloride is sourced from PubChem (CID 157040216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).