N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide

C12H11BrFN3O2S — CID 113452318

IUPACN-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide
SMILESNNc1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C12H11BrFN3O2S/c13-11-7-9(3-6-12(11)14)17-20(18,19)10-4-1-8(16-15)2-5-10/h1-7,16-17H,15H2
InChIKeyHGSLFNUCPYOMRI-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.67
Rot. Bonds4

About N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide

N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide (PubChem CID 113452318) has the molecular formula C12H11BrFN3O2S and a molecular weight of 360.21 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide
PubChem CID113452318
Molecular FormulaC12H11BrFN3O2S
Molecular Weight360.21 g/mol
Exact Mass358.97
IUPAC NameN-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide
SMILESNNc1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C12H11BrFN3O2S/c13-11-7-9(3-6-12(11)14)17-20(18,19)10-4-1-8(16-15)2-5-10/h1-7,16-17H,15H2
InChIKeyHGSLFNUCPYOMRI-UHFFFAOYSA-N
XLogP2.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-bromo-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775504
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
3-amino-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104775518
N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 104780385
4-amino-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 50998348
N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide
CID 82861438
N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 107367287
N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 115663189
2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775446
N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 65436383
3-[(3-bromo-4-fluorophenyl)sulfamoyl]benzenecarbothioamide
CID 104779115
4-amino-N-(3,4-difluorophenyl)benzenesulfonamide
CID 16790684

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide (CID 113452318) is N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide is NNc1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)cc1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide?
The InChIKey is HGSLFNUCPYOMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O2S/c13-11-7-9(3-6-12(11)14)17-20(18,19)10-4-1-8(16-15)2-5-10/h1-7,16-17H,15H2.
What are the key properties of N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide?
N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide has a molecular weight of 360.21 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 113452318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).