2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide

C10H11N3O4S — CID 83813899

IUPAC2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide
SMILESNNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H11N3O4S/c11-12-18(16,17)6-5-13-9(14)7-3-1-2-4-8(7)10(13)15/h1-4,12H,5-6,11H2
InChIKeyYRDHNRZVUPLXTN-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.92
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide

2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide (PubChem CID 83813899) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide
PubChem CID83813899
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide
SMILESNNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H11N3O4S/c11-12-18(16,17)6-5-13-9(14)7-3-1-2-4-8(7)10(13)15/h1-4,12H,5-6,11H2
InChIKeyYRDHNRZVUPLXTN-UHFFFAOYSA-N
XLogP-0.92
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide 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-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide
CID 617178
2-(1,3-dioxoisoindol-2-yl)-N-(4-iodophenyl)ethanesulfonamide
CID 45379603
N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
CID 23005465
2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide
CID 110287773
(2S)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-methylbutanamide
CID 94189662
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide
CID 55758157
2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide
CID 110398464
N-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide
CID 120711592
3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonic acid
CID 3385233
2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione
CID 17422099
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide (CID 83813899) is 2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide is NNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide?
The InChIKey is YRDHNRZVUPLXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c11-12-18(16,17)6-5-13-9(14)7-3-1-2-4-8(7)10(13)15/h1-4,12H,5-6,11H2.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide?
2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide has a molecular weight of 269.28 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide is sourced from PubChem (CID 83813899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).