5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide

C17H17N3O3S — CID 3149668

IUPAC5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-c2nnc(OC)c3ccccc23)ccc1C
InChIInChI=1S/C17H17N3O3S/c1-11-8-9-12(10-15(11)24(21,22)18-2)16-13-6-4-5-7-14(13)17(23-3)20-19-16/h4-10,18H,1-3H3
InChIKeyZANVNNUGUQKRQJ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.52
Rot. Bonds4

About 5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide

5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide (PubChem CID 3149668) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide
PubChem CID3149668
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-c2nnc(OC)c3ccccc23)ccc1C
InChIInChI=1S/C17H17N3O3S/c1-11-8-9-12(10-15(11)24(21,22)18-2)16-13-6-4-5-7-14(13)17(23-3)20-19-16/h4-10,18H,1-3H3
InChIKeyZANVNNUGUQKRQJ-UHFFFAOYSA-N
XLogP2.52
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide (CID 3149668) is 5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(-c2nnc(OC)c3ccccc23)ccc1C.
What is the InChIKey of 5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is ZANVNNUGUQKRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-8-9-12(10-15(11)24(21,22)18-2)16-13-6-4-5-7-14(13)17(23-3)20-19-16/h4-10,18H,1-3H3.
What are the key properties of 5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide?
5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 3149668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).