5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide

C12H8BrCl2FN2O2S — CID 103477337

IUPAC5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C12H8BrCl2FN2O2S/c13-11-7(14)2-1-3-9(11)18-21(19,20)10-5-6(17)4-8(15)12(10)16/h1-5,18H,17H2
InChIKeyXMPSYRVCLKRYSI-UHFFFAOYSA-N
MW414.08 g/mol
LogP4.28
Rot. Bonds3

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

5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide (PubChem CID 103477337) has the molecular formula C12H8BrCl2FN2O2S and a molecular weight of 414.08 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide
PubChem CID103477337
Molecular FormulaC12H8BrCl2FN2O2S
Molecular Weight414.08 g/mol
Exact Mass411.89
IUPAC Name5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C12H8BrCl2FN2O2S/c13-11-7(14)2-1-3-9(11)18-21(19,20)10-5-6(17)4-8(15)12(10)16/h1-5,18H,17H2
InChIKeyXMPSYRVCLKRYSI-UHFFFAOYSA-N
XLogP4.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.08
LogP ≤ 54.28
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-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258199
4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide
CID 103480213
2-amino-4-bromo-N-(2-bromo-3-chlorophenyl)benzenesulfonamide
CID 103477338
N-(2-bromo-3-chlorophenyl)-2,4-difluorobenzenesulfonamide
CID 103480186
5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629038
2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide
CID 154840283
5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898910
5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide
CID 104775483
5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide
CID 65023507
5-amino-N-(4-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80628443
5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 65202096
4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide
CID 103477272

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide (CID 103477337) is 5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide is Nc1cc(Cl)c(F)c(S(=O)(=O)Nc2cccc(Cl)c2Br)c1.
What is the InChIKey of 5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide?
The InChIKey is XMPSYRVCLKRYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2FN2O2S/c13-11-7(14)2-1-3-9(11)18-21(19,20)10-5-6(17)4-8(15)12(10)16/h1-5,18H,17H2.
What are the key properties of 5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide?
5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide has a molecular weight of 414.08 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103477337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).