N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide

C12H10BrCl2N3O2S — CID 43455137

IUPACN-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide
SMILESNNc1ccccc1S(=O)(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H10BrCl2N3O2S/c13-7-5-8(14)12(9(15)6-7)18-21(19,20)11-4-2-1-3-10(11)17-16/h1-6,17-18H,16H2
InChIKeyUDHMNUIMXNUFLH-UHFFFAOYSA-N
MW411.11 g/mol
LogP3.84
Rot. Bonds4

About N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide

N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide (PubChem CID 43455137) has the molecular formula C12H10BrCl2N3O2S and a molecular weight of 411.11 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide
PubChem CID43455137
Molecular FormulaC12H10BrCl2N3O2S
Molecular Weight411.11 g/mol
Exact Mass408.91
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide
SMILESNNc1ccccc1S(=O)(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H10BrCl2N3O2S/c13-7-5-8(14)12(9(15)6-7)18-21(19,20)11-4-2-1-3-10(11)17-16/h1-6,17-18H,16H2
InChIKeyUDHMNUIMXNUFLH-UHFFFAOYSA-N
XLogP3.84
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.11
LogP ≤ 53.84
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'}

Analyze N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide 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

N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 107613420
N-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide
CID 107600992
N-(5-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 43455202
N-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 61470421
N-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62142676
5-bromo-3-chloro-2-hydroxy-N-(2-iodophenyl)benzenesulfonamide
CID 146619015
4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide
CID 47104330
4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide
CID 7939182
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
2-hydrazinyl-N-pyridin-4-ylbenzenesulfonamide
CID 43383529
2-hydrazinyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240880
N-(2-bromophenyl)-2-chlorobenzenesulfonamide
CID 4816661

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide (CID 43455137) is N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide is NNc1ccccc1S(=O)(=O)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide?
The InChIKey is UDHMNUIMXNUFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3O2S/c13-7-5-8(14)12(9(15)6-7)18-21(19,20)11-4-2-1-3-10(11)17-16/h1-6,17-18H,16H2.
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide?
N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide has a molecular weight of 411.11 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 43455137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).