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

C12H9BrClFN2O2S — CID 81262650

IUPAC5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C12H9BrClFN2O2S/c13-9-3-1-7(14)5-11(9)17-20(18,19)12-6-8(16)2-4-10(12)15/h1-6,17H,16H2
InChIKeyHXMWZSFUCULAPB-UHFFFAOYSA-N
MW379.64 g/mol
LogP3.62
Rot. Bonds3

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

5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide (PubChem CID 81262650) has the molecular formula C12H9BrClFN2O2S and a molecular weight of 379.64 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide
PubChem CID81262650
Molecular FormulaC12H9BrClFN2O2S
Molecular Weight379.64 g/mol
Exact Mass377.92
IUPAC Name5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C12H9BrClFN2O2S/c13-9-3-1-7(14)5-11(9)17-20(18,19)12-6-8(16)2-4-10(12)15/h1-6,17H,16H2
InChIKeyHXMWZSFUCULAPB-UHFFFAOYSA-N
XLogP3.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 53.62
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-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 61466695
4-amino-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81263027
3-amino-N-(2-bromo-5-chlorophenyl)-5-fluorobenzenesulfonamide
CID 81262265
5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 43255417
3-amino-N-(2-bromo-5-chlorophenyl)-4-fluorobenzenesulfonamide
CID 81262729
5-amino-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 107624395
2-amino-5-bromo-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81262723
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide
CID 65201946
5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 65202232
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 64914781

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide (CID 81262650) is 5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide is Nc1ccc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2Br)c1.
What is the InChIKey of 5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is HXMWZSFUCULAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O2S/c13-9-3-1-7(14)5-11(9)17-20(18,19)12-6-8(16)2-4-10(12)15/h1-6,17H,16H2.
What are the key properties of 5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide?
5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide has a molecular weight of 379.64 g/mol, XLogP of 3.62, 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-5-chlorophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 81262650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).