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

C11H13N3O4S — CID 64592343

IUPACN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C11H13N3O4S/c1-2-6-19(17,18)14-8-5-3-4-7-9(8)11(16)13-12-10(7)15/h3-5,14H,2,6H2,1H3,(H,12,15)(H,13,16)
InChIKeyUJSVUVMKJGTNLS-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.37
Rot. Bonds4

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

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)propane-1-sulfonamide (PubChem CID 64592343) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)propane-1-sulfonamide
PubChem CID64592343
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C11H13N3O4S/c1-2-6-19(17,18)14-8-5-3-4-7-9(8)11(16)13-12-10(7)15/h3-5,14H,2,6H2,1H3,(H,12,15)(H,13,16)
InChIKeyUJSVUVMKJGTNLS-UHFFFAOYSA-N
XLogP0.37
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)ethanesulfonamide
CID 107651738
5-(bromoamino)-2,3-dihydrophthalazine-1,4-dione
CID 11586922
5-(hydroxymethylamino)-2,3-dihydrophthalazine-1,4-dione
CID 11521306
5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione
CID 43824682
1-butyl-3-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)carbamoyl]-1-methylsulfonylurea
CID 167778120
8-(propylsulfonylamino)naphthalene-1-carboxylic acid
CID 71683584
N-(2-fluorophenyl)propane-1-sulfonamide
CID 60640812
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea
CID 27190754
N-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide
CID 110713222
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide
CID 62639645
5-octyl-2,3-dihydrophthalazine-1,4-dione
CID 102273443
5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione
CID 64773910

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)propane-1-sulfonamide?
The IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)propane-1-sulfonamide (CID 64592343) is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)propane-1-sulfonamide?
The canonical SMILES for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)propane-1-sulfonamide?
The InChIKey is UJSVUVMKJGTNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-2-6-19(17,18)14-8-5-3-4-7-9(8)11(16)13-12-10(7)15/h3-5,14H,2,6H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)propane-1-sulfonamide?
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)propane-1-sulfonamide has a molecular weight of 283.31 g/mol, XLogP of 0.37, 4 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)propane-1-sulfonamide is sourced from PubChem (CID 64592343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).