4-(2-benzoylhydrazinyl)benzenesulfonamide

C13H13N3O3S — CID 2811817

IUPAC4-(2-benzoylhydrazinyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C13H13N3O3S/c14-20(18,19)12-8-6-11(7-9-12)15-16-13(17)10-4-2-1-3-5-10/h1-9,15H,(H,16,17)(H2,14,18,19)
InChIKeyVBDOEMXUOXVSSI-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.09
Rot. Bonds4

About 4-(2-benzoylhydrazinyl)benzenesulfonamide

4-(2-benzoylhydrazinyl)benzenesulfonamide (PubChem CID 2811817) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-(2-benzoylhydrazinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-benzoylhydrazinyl)benzenesulfonamide
PubChem CID2811817
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name4-(2-benzoylhydrazinyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C13H13N3O3S/c14-20(18,19)12-8-6-11(7-9-12)15-16-13(17)10-4-2-1-3-5-10/h1-9,15H,(H,16,17)(H2,14,18,19)
InChIKeyVBDOEMXUOXVSSI-UHFFFAOYSA-N
XLogP1.09
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-benzoylhydrazinyl)benzenesulfonamide 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 4-(2-benzoylhydrazinyl)benzenesulfonamide?
The IUPAC name of 4-(2-benzoylhydrazinyl)benzenesulfonamide (CID 2811817) is 4-(2-benzoylhydrazinyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-benzoylhydrazinyl)benzenesulfonamide?
The canonical SMILES for 4-(2-benzoylhydrazinyl)benzenesulfonamide is NS(=O)(=O)c1ccc(NNC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(2-benzoylhydrazinyl)benzenesulfonamide?
The InChIKey is VBDOEMXUOXVSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-20(18,19)12-8-6-11(7-9-12)15-16-13(17)10-4-2-1-3-5-10/h1-9,15H,(H,16,17)(H2,14,18,19).
What are the key properties of 4-(2-benzoylhydrazinyl)benzenesulfonamide?
4-(2-benzoylhydrazinyl)benzenesulfonamide has a molecular weight of 291.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzoylhydrazinyl)benzenesulfonamide is sourced from PubChem (CID 2811817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).