N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide

C12H10BrClFN3O2S — CID 107613420

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide
SMILESNNc1ccccc1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H10BrClFN3O2S/c13-8-5-7(15)6-9(14)12(8)18-21(19,20)11-4-2-1-3-10(11)17-16/h1-6,17-18H,16H2
InChIKeyRHPVCXJGVKDJRC-UHFFFAOYSA-N
MW394.65 g/mol
LogP3.33
Rot. Bonds4

About N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide (PubChem CID 107613420) has the molecular formula C12H10BrClFN3O2S and a molecular weight of 394.65 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide
PubChem CID107613420
Molecular FormulaC12H10BrClFN3O2S
Molecular Weight394.65 g/mol
Exact Mass392.93
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide
SMILESNNc1ccccc1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H10BrClFN3O2S/c13-8-5-7(15)6-9(14)12(8)18-21(19,20)11-4-2-1-3-10(11)17-16/h1-6,17-18H,16H2
InChIKeyRHPVCXJGVKDJRC-UHFFFAOYSA-N
XLogP3.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.65
LogP ≤ 53.33
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

2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922632
N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 104922640
N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide
CID 43455137
4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107608927
N-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide
CID 107600992
N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62142695
N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 104922677
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzamide
CID 107616854
N-(5-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 43455202
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922663
N-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 61470421
N-(2,6-dichloro-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103301917

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide (CID 107613420) is N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide is NNc1ccccc1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide?
The InChIKey is RHPVCXJGVKDJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3O2S/c13-8-5-7(15)6-9(14)12(8)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-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide has a molecular weight of 394.65 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 107613420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).