N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzenesulfonamide

C14H11N3O4S — CID 1264790

IUPACN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzenesulfonamide
SMILESO=c1[nH][nH]c(=O)c2c(NS(=O)(=O)c3ccccc3)cccc12
InChIInChI=1S/C14H11N3O4S/c18-13-10-7-4-8-11(12(10)14(19)16-15-13)17-22(20,21)9-5-2-1-3-6-9/h1-8,17H,(H,15,18)(H,16,19)
InChIKeyRGFZMJMCTDBGBG-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.02
Rot. Bonds3

About N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzenesulfonamide

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzenesulfonamide (PubChem CID 1264790) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzenesulfonamide
PubChem CID1264790
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzenesulfonamide
SMILESO=c1[nH][nH]c(=O)c2c(NS(=O)(=O)c3ccccc3)cccc12
InChIInChI=1S/C14H11N3O4S/c18-13-10-7-4-8-11(12(10)14(19)16-15-13)17-22(20,21)9-5-2-1-3-6-9/h1-8,17H,(H,15,18)(H,16,19)
InChIKeyRGFZMJMCTDBGBG-UHFFFAOYSA-N
XLogP1.02
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzenesulfonamide?
The IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzenesulfonamide (CID 1264790) is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzenesulfonamide?
The canonical SMILES for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzenesulfonamide is O=c1[nH][nH]c(=O)c2c(NS(=O)(=O)c3ccccc3)cccc12.
What is the InChIKey of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzenesulfonamide?
The InChIKey is RGFZMJMCTDBGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S/c18-13-10-7-4-8-11(12(10)14(19)16-15-13)17-22(20,21)9-5-2-1-3-6-9/h1-8,17H,(H,15,18)(H,16,19).
What are the key properties of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzenesulfonamide?
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzenesulfonamide has a molecular weight of 317.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzenesulfonamide is sourced from PubChem (CID 1264790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).