5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide

C16H15N3O3S — CID 3149667

IUPAC5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide
SMILESCOc1nnc(-c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc12
InChIInChI=1S/C16H15N3O3S/c1-10-7-8-11(9-14(10)23(17,20)21)15-12-5-3-4-6-13(12)16(22-2)19-18-15/h3-9H,1-2H3,(H2,17,20,21)
InChIKeyOMKYSERHFVXYOC-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.26
Rot. Bonds3

About 5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide

5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide (PubChem CID 3149667) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide
PubChem CID3149667
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide
SMILESCOc1nnc(-c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc12
InChIInChI=1S/C16H15N3O3S/c1-10-7-8-11(9-14(10)23(17,20)21)15-12-5-3-4-6-13(12)16(22-2)19-18-15/h3-9H,1-2H3,(H2,17,20,21)
InChIKeyOMKYSERHFVXYOC-UHFFFAOYSA-N
XLogP2.26
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.26
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)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide (CID 3149667) is 5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide is COc1nnc(-c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc12.
What is the InChIKey of 5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide?
The InChIKey is OMKYSERHFVXYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-7-8-11(9-14(10)23(17,20)21)15-12-5-3-4-6-13(12)16(22-2)19-18-15/h3-9H,1-2H3,(H2,17,20,21).
What are the key properties of 5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide?
5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.26, 3 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)-2-methylbenzenesulfonamide is sourced from PubChem (CID 3149667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).