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

C12H9BrClFN2O2S — CID 81262265

IUPAC3-amino-N-(2-bromo-5-chlorophenyl)-5-fluorobenzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)Nc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C12H9BrClFN2O2S/c13-11-2-1-7(14)3-12(11)17-20(18,19)10-5-8(15)4-9(16)6-10/h1-6,17H,16H2
InChIKeyHNDISANGQDFEAT-UHFFFAOYSA-N
MW379.64 g/mol
LogP3.62
Rot. Bonds3

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

3-amino-N-(2-bromo-5-chlorophenyl)-5-fluorobenzenesulfonamide (PubChem CID 81262265) has the molecular formula C12H9BrClFN2O2S and a molecular weight of 379.64 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-5-chlorophenyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-5-chlorophenyl)-5-fluorobenzenesulfonamide
PubChem CID81262265
Molecular FormulaC12H9BrClFN2O2S
Molecular Weight379.64 g/mol
Exact Mass377.92
IUPAC Name3-amino-N-(2-bromo-5-chlorophenyl)-5-fluorobenzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)Nc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C12H9BrClFN2O2S/c13-11-2-1-7(14)3-12(11)17-20(18,19)10-5-8(15)4-9(16)6-10/h1-6,17H,16H2
InChIKeyHNDISANGQDFEAT-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

3-amino-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 63321951
3-amino-N-(5-bromo-2-fluorophenyl)-5-fluorobenzenesulfonamide
CID 63322305
4-amino-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81263027
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluorobenzenesulfonamide
CID 63321999
3-amino-N-(2-bromo-5-chlorophenyl)-4-fluorobenzenesulfonamide
CID 81262729
5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide
CID 81262650
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluorobenzenesulfonamide
CID 63322042
6-amino-N-(2-bromo-5-chlorophenyl)-5-chloropyridine-3-sulfonamide
CID 81275515
2-amino-5-bromo-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81262723
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953
3-amino-N-(5-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256500
5-amino-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 61466695

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-5-chlorophenyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-bromo-5-chlorophenyl)-5-fluorobenzenesulfonamide (CID 81262265) is 3-amino-N-(2-bromo-5-chlorophenyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-bromo-5-chlorophenyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-bromo-5-chlorophenyl)-5-fluorobenzenesulfonamide is Nc1cc(F)cc(S(=O)(=O)Nc2cc(Cl)ccc2Br)c1.
What is the InChIKey of 3-amino-N-(2-bromo-5-chlorophenyl)-5-fluorobenzenesulfonamide?
The InChIKey is HNDISANGQDFEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O2S/c13-11-2-1-7(14)3-12(11)17-20(18,19)10-5-8(15)4-9(16)6-10/h1-6,17H,16H2.
What are the key properties of 3-amino-N-(2-bromo-5-chlorophenyl)-5-fluorobenzenesulfonamide?
3-amino-N-(2-bromo-5-chlorophenyl)-5-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 3-amino-N-(2-bromo-5-chlorophenyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 81262265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).