4-[2-(2,4-difluorobenzoyl)hydrazinyl]benzenesulfonamide

C13H11F2N3O3S — CID 2811806

IUPAC4-[2-(2,4-difluorobenzoyl)hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C13H11F2N3O3S/c14-8-1-6-11(12(15)7-8)13(19)18-17-9-2-4-10(5-3-9)22(16,20)21/h1-7,17H,(H,18,19)(H2,16,20,21)
InChIKeyNMGHMSCYFIEHCB-UHFFFAOYSA-N
MW327.31 g/mol
LogP1.37
Rot. Bonds4

About 4-[2-(2,4-difluorobenzoyl)hydrazinyl]benzenesulfonamide

4-[2-(2,4-difluorobenzoyl)hydrazinyl]benzenesulfonamide (PubChem CID 2811806) has the molecular formula C13H11F2N3O3S and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-[2-(2,4-difluorobenzoyl)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2,4-difluorobenzoyl)hydrazinyl]benzenesulfonamide
PubChem CID2811806
Molecular FormulaC13H11F2N3O3S
Molecular Weight327.31 g/mol
Exact Mass327.05
IUPAC Name4-[2-(2,4-difluorobenzoyl)hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C13H11F2N3O3S/c14-8-1-6-11(12(15)7-8)13(19)18-17-9-2-4-10(5-3-9)22(16,20)21/h1-7,17H,(H,18,19)(H2,16,20,21)
InChIKeyNMGHMSCYFIEHCB-UHFFFAOYSA-N
XLogP1.37
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 51.37
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-(2,4-difluorobenzoyl)hydrazinyl]benzenesulfonamide 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

Sulfabenzamide
CID 5319
N'-(2-fluorobenzenesulfonyl)benzohydrazide
CID 16385222
N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide
CID 135298708
3-Fluorobenzoic acid 2-(phenylsulfonyl)hydrazide
CID 809461
2-[[(4-Fluorophenyl)sulfonyl]amino]benzamide
CID 788806
2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide
CID 4180608
N'-Benzoyl-4-fluorobenzenesulfonohydrazide
CID 809426
4-[2-(4-Ethylbenzoyl)hydrazino]benzenesulfonamide
CID 2811811
N'-[(4-fluorophenyl)sulfonyl]-4-nitrobenzohydrazide
CID 3113467
N'-(2-fluorophenyl)benzohydrazide
CID 2812154
N'-(2-fluorophenyl)sulfonyl-3-methylbenzohydrazide
CID 124132152
N'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide
CID 134581445

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorobenzoyl)hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[2-(2,4-difluorobenzoyl)hydrazinyl]benzenesulfonamide (CID 2811806) is 4-[2-(2,4-difluorobenzoyl)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2,4-difluorobenzoyl)hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2,4-difluorobenzoyl)hydrazinyl]benzenesulfonamide is NS(=O)(=O)c1ccc(NNC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 4-[2-(2,4-difluorobenzoyl)hydrazinyl]benzenesulfonamide?
The InChIKey is NMGHMSCYFIEHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O3S/c14-8-1-6-11(12(15)7-8)13(19)18-17-9-2-4-10(5-3-9)22(16,20)21/h1-7,17H,(H,18,19)(H2,16,20,21).
What are the key properties of 4-[2-(2,4-difluorobenzoyl)hydrazinyl]benzenesulfonamide?
4-[2-(2,4-difluorobenzoyl)hydrazinyl]benzenesulfonamide has a molecular weight of 327.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorobenzoyl)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 2811806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).