2-N'-(benzenesulfonyl)-1-N'-methylethanedihydrazide

C9H12N4O4S — CID 3143391

IUPAC2-N'-(benzenesulfonyl)-1-N'-methylethanedihydrazide
SMILESCNNC(=O)C(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H12N4O4S/c1-10-11-8(14)9(15)12-13-18(16,17)7-5-3-2-4-6-7/h2-6,10,13H,1H3,(H,11,14)(H,12,15)
InChIKeyCIMJCBPWUZRBSR-UHFFFAOYSA-N
MW272.29 g/mol
LogP-1.75
Rot. Bonds4

About 2-N'-(benzenesulfonyl)-1-N'-methylethanedihydrazide

2-N'-(benzenesulfonyl)-1-N'-methylethanedihydrazide (PubChem CID 3143391) has the molecular formula C9H12N4O4S and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-N'-(benzenesulfonyl)-1-N'-methylethanedihydrazide.

Molecular Properties

Compound Name2-N'-(benzenesulfonyl)-1-N'-methylethanedihydrazide
PubChem CID3143391
Molecular FormulaC9H12N4O4S
Molecular Weight272.29 g/mol
Exact Mass272.06
IUPAC Name2-N'-(benzenesulfonyl)-1-N'-methylethanedihydrazide
SMILESCNNC(=O)C(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H12N4O4S/c1-10-11-8(14)9(15)12-13-18(16,17)7-5-3-2-4-6-7/h2-6,10,13H,1H3,(H,11,14)(H,12,15)
InChIKeyCIMJCBPWUZRBSR-UHFFFAOYSA-N
XLogP-1.75
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N'-(benzenesulfonyl)-1-N'-methylethanedihydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N'-(benzenesulfonyl)-1-N'-methylethanedihydrazide?
The IUPAC name of 2-N'-(benzenesulfonyl)-1-N'-methylethanedihydrazide (CID 3143391) is 2-N'-(benzenesulfonyl)-1-N'-methylethanedihydrazide.
What is the SMILES notation for 2-N'-(benzenesulfonyl)-1-N'-methylethanedihydrazide?
The canonical SMILES for 2-N'-(benzenesulfonyl)-1-N'-methylethanedihydrazide is CNNC(=O)C(=O)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-N'-(benzenesulfonyl)-1-N'-methylethanedihydrazide?
The InChIKey is CIMJCBPWUZRBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4S/c1-10-11-8(14)9(15)12-13-18(16,17)7-5-3-2-4-6-7/h2-6,10,13H,1H3,(H,11,14)(H,12,15).
What are the key properties of 2-N'-(benzenesulfonyl)-1-N'-methylethanedihydrazide?
2-N'-(benzenesulfonyl)-1-N'-methylethanedihydrazide has a molecular weight of 272.29 g/mol, XLogP of -1.75, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-(benzenesulfonyl)-1-N'-methylethanedihydrazide is sourced from PubChem (CID 3143391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).