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

C14H11N3O3S — CID 2826269

IUPAC4-(1-oxophthalazin-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2ncc3ccccc3c2=O)cc1
InChIInChI=1S/C14H11N3O3S/c15-21(19,20)12-7-5-11(6-8-12)17-14(18)13-4-2-1-3-10(13)9-16-17/h1-9H,(H2,15,19,20)
InChIKeyZDPRCKUYDKWLTJ-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.03
Rot. Bonds2

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

4-(1-oxophthalazin-2-yl)benzenesulfonamide (PubChem CID 2826269) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 4-(1-oxophthalazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-oxophthalazin-2-yl)benzenesulfonamide
PubChem CID2826269
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name4-(1-oxophthalazin-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2ncc3ccccc3c2=O)cc1
InChIInChI=1S/C14H11N3O3S/c15-21(19,20)12-7-5-11(6-8-12)17-14(18)13-4-2-1-3-10(13)9-16-17/h1-9H,(H2,15,19,20)
InChIKeyZDPRCKUYDKWLTJ-UHFFFAOYSA-N
XLogP1.03
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-oxophthalazin-2-yl)benzenesulfonamide?
The IUPAC name of 4-(1-oxophthalazin-2-yl)benzenesulfonamide (CID 2826269) is 4-(1-oxophthalazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1-oxophthalazin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(1-oxophthalazin-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-n2ncc3ccccc3c2=O)cc1.
What is the InChIKey of 4-(1-oxophthalazin-2-yl)benzenesulfonamide?
The InChIKey is ZDPRCKUYDKWLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c15-21(19,20)12-7-5-11(6-8-12)17-14(18)13-4-2-1-3-10(13)9-16-17/h1-9H,(H2,15,19,20).
What are the key properties of 4-(1-oxophthalazin-2-yl)benzenesulfonamide?
4-(1-oxophthalazin-2-yl)benzenesulfonamide has a molecular weight of 301.33 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxophthalazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 2826269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).