3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide

C12H8BrClF2N2O2S — CID 43347515

IUPAC3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)ccc1Cl
InChIInChI=1S/C12H8BrClF2N2O2S/c13-8-3-6(15)4-10(16)12(8)18-21(19,20)7-1-2-9(14)11(17)5-7/h1-5,18H,17H2
InChIKeyGLYOTWZDGINEJF-UHFFFAOYSA-N
MW397.63 g/mol
LogP3.76
Rot. Bonds3

About 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide

3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide (PubChem CID 43347515) has the molecular formula C12H8BrClF2N2O2S and a molecular weight of 397.63 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide
PubChem CID43347515
Molecular FormulaC12H8BrClF2N2O2S
Molecular Weight397.63 g/mol
Exact Mass395.91
IUPAC Name3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)ccc1Cl
InChIInChI=1S/C12H8BrClF2N2O2S/c13-8-3-6(15)4-10(16)12(8)18-21(19,20)7-1-2-9(14)11(17)5-7/h1-5,18H,17H2
InChIKeyGLYOTWZDGINEJF-UHFFFAOYSA-N
XLogP3.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.63
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
CID 43168233
3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 43126278
3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596352
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluorobenzenesulfonamide
CID 63322042
3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide
CID 82799121
N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide
CID 112769161
4-bromo-N-(2-chloro-4,6-difluorophenyl)-3-methylbenzenesulfonamide
CID 82886303
3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 28992287
2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452545
N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43550658
3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61466408
N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629170

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide (CID 43347515) is 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)ccc1Cl.
What is the InChIKey of 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide?
The InChIKey is GLYOTWZDGINEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF2N2O2S/c13-8-3-6(15)4-10(16)12(8)18-21(19,20)7-1-2-9(14)11(17)5-7/h1-5,18H,17H2.
What are the key properties of 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide?
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide has a molecular weight of 397.63 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 43347515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).