N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

C19H19N3O6S — CID 24563390

IUPACN'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H19N3O6S/c23-18-2-1-9-22(18)14-4-6-15(7-5-14)29(25,26)21-20-19(24)13-3-8-16-17(12-13)28-11-10-27-16/h3-8,12,21H,1-2,9-11H2,(H,20,24)
InChIKeyHCBWUORAWUHCMM-UHFFFAOYSA-N
MW417.44 g/mol
LogP1.21
Rot. Bonds5

About N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (PubChem CID 24563390) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
PubChem CID24563390
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC NameN'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H19N3O6S/c23-18-2-1-9-22(18)14-4-6-15(7-5-14)29(25,26)21-20-19(24)13-3-8-16-17(12-13)28-11-10-27-16/h3-8,12,21H,1-2,9-11H2,(H,20,24)
InChIKeyHCBWUORAWUHCMM-UHFFFAOYSA-N
XLogP1.21
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide
CID 8822934
2-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylfuran-3-carbohydrazide
CID 8823087
N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 18125877
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51582804
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26955394
1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide
CID 8823945
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110312238
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042526
N-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzamide
CID 26781606
N-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 26004757
N'-[3-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 47784702
N,N-dimethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 24580878

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The IUPAC name of N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (CID 24563390) is N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.
What is the SMILES notation for N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The canonical SMILES for N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is O=C(NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The InChIKey is HCBWUORAWUHCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S/c23-18-2-1-9-22(18)14-4-6-15(7-5-14)29(25,26)21-20-19(24)13-3-8-16-17(12-13)28-11-10-27-16/h3-8,12,21H,1-2,9-11H2,(H,20,24).
What are the key properties of N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide has a molecular weight of 417.44 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is sourced from PubChem (CID 24563390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).