4-(4-methyl-1-oxophthalazin-2-yl)benzenesulfonamide

C15H13N3O3S — CID 155544382

IUPAC4-(4-methyl-1-oxophthalazin-2-yl)benzenesulfonamide
SMILESCc1nn(-c2ccc(S(N)(=O)=O)cc2)c(=O)c2ccccc12
InChIInChI=1S/C15H13N3O3S/c1-10-13-4-2-3-5-14(13)15(19)18(17-10)11-6-8-12(9-7-11)22(16,20)21/h2-9H,1H3,(H2,16,20,21)
InChIKeyPWDQQZDAXPXYEM-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.34
Rot. Bonds2

About 4-(4-methyl-1-oxophthalazin-2-yl)benzenesulfonamide

4-(4-methyl-1-oxophthalazin-2-yl)benzenesulfonamide (PubChem CID 155544382) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-(4-methyl-1-oxophthalazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methyl-1-oxophthalazin-2-yl)benzenesulfonamide
PubChem CID155544382
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name4-(4-methyl-1-oxophthalazin-2-yl)benzenesulfonamide
SMILESCc1nn(-c2ccc(S(N)(=O)=O)cc2)c(=O)c2ccccc12
InChIInChI=1S/C15H13N3O3S/c1-10-13-4-2-3-5-14(13)15(19)18(17-10)11-6-8-12(9-7-11)22(16,20)21/h2-9H,1H3,(H2,16,20,21)
InChIKeyPWDQQZDAXPXYEM-UHFFFAOYSA-N
XLogP1.34
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1-oxophthalazin-2-yl)benzenesulfonamide?
The IUPAC name of 4-(4-methyl-1-oxophthalazin-2-yl)benzenesulfonamide (CID 155544382) is 4-(4-methyl-1-oxophthalazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-methyl-1-oxophthalazin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-methyl-1-oxophthalazin-2-yl)benzenesulfonamide is Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(=O)c2ccccc12.
What is the InChIKey of 4-(4-methyl-1-oxophthalazin-2-yl)benzenesulfonamide?
The InChIKey is PWDQQZDAXPXYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-10-13-4-2-3-5-14(13)15(19)18(17-10)11-6-8-12(9-7-11)22(16,20)21/h2-9H,1H3,(H2,16,20,21).
What are the key properties of 4-(4-methyl-1-oxophthalazin-2-yl)benzenesulfonamide?
4-(4-methyl-1-oxophthalazin-2-yl)benzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1-oxophthalazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 155544382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).