2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide

C12H9BrClFN2O2S — CID 60986146

IUPAC2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide
SMILESNc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H9BrClFN2O2S/c13-7-1-4-11(9(15)5-7)17-20(18,19)12-6-8(14)2-3-10(12)16/h1-6,17H,16H2
InChIKeyDKFINOGRDNCWEK-UHFFFAOYSA-N
MW379.64 g/mol
LogP3.62
Rot. Bonds3

About 2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide

2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide (PubChem CID 60986146) has the molecular formula C12H9BrClFN2O2S and a molecular weight of 379.64 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide
PubChem CID60986146
Molecular FormulaC12H9BrClFN2O2S
Molecular Weight379.64 g/mol
Exact Mass377.92
IUPAC Name2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide
SMILESNc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H9BrClFN2O2S/c13-7-1-4-11(9(15)5-7)17-20(18,19)12-6-8(14)2-3-10(12)16/h1-6,17H,16H2
InChIKeyDKFINOGRDNCWEK-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

2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide
CID 65469250
2-amino-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986083
2-amino-5-bromo-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81262723
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide
CID 28829056
4-amino-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
CID 43256411
2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide
CID 61472212
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81262415
3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79884837
2-amino-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
CID 107571310
2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590884

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide (CID 60986146) is 2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide is Nc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of 2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide?
The InChIKey is DKFINOGRDNCWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O2S/c13-7-1-4-11(9(15)5-7)17-20(18,19)12-6-8(14)2-3-10(12)16/h1-6,17H,16H2.
What are the key properties of 2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide?
2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide 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 2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide is sourced from PubChem (CID 60986146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).