5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide

C12H8BrClF2N2O2S — CID 104775483

IUPAC5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)Nc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C12H8BrClF2N2O2S/c13-8-5-7(1-2-10(8)15)18-21(19,20)11-4-6(17)3-9(14)12(11)16/h1-5,18H,17H2
InChIKeyFGXNVAZFGTWDFH-UHFFFAOYSA-N
MW397.63 g/mol
LogP3.76
Rot. Bonds3

About 5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide

5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide (PubChem CID 104775483) has the molecular formula C12H8BrClF2N2O2S and a molecular weight of 397.63 g/mol. Its IUPAC name is 5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide
PubChem CID104775483
Molecular FormulaC12H8BrClF2N2O2S
Molecular Weight397.63 g/mol
Exact Mass395.91
IUPAC Name5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)Nc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C12H8BrClF2N2O2S/c13-8-5-7(1-2-10(8)15)18-21(19,20)11-4-6(17)3-9(14)12(11)16/h1-5,18H,17H2
InChIKeyFGXNVAZFGTWDFH-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

5-amino-3-chloro-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258123
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629247
2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775446
5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 65022933
5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide
CID 65022984
5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide
CID 103477337
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 61125327
5-amino-N-(3-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104775506
5-amino-N-(3,4-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629046
N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 113452318
5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 43255417

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide (CID 104775483) is 5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide is Nc1cc(Cl)c(F)c(S(=O)(=O)Nc2ccc(F)c(Br)c2)c1.
What is the InChIKey of 5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide?
The InChIKey is FGXNVAZFGTWDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF2N2O2S/c13-8-5-7(1-2-10(8)15)18-21(19,20)11-4-6(17)3-9(14)12(11)16/h1-5,18H,17H2.
What are the key properties of 5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide?
5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide 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 5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 104775483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).