2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide

C12H8BrCl2FN2O2S — CID 43555514

IUPAC2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C12H8BrCl2FN2O2S/c13-6-1-2-9(16)11(3-6)18-21(19,20)12-8(15)4-7(14)5-10(12)17/h1-5,18H,17H2
InChIKeyGCTVPBPBIYFPAZ-UHFFFAOYSA-N
MW414.08 g/mol
LogP4.28
Rot. Bonds3

About 2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide

2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide (PubChem CID 43555514) has the molecular formula C12H8BrCl2FN2O2S and a molecular weight of 414.08 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide
PubChem CID43555514
Molecular FormulaC12H8BrCl2FN2O2S
Molecular Weight414.08 g/mol
Exact Mass411.89
IUPAC Name2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C12H8BrCl2FN2O2S/c13-6-1-2-9(16)11(3-6)18-21(19,20)12-8(15)4-7(14)5-10(12)17/h1-5,18H,17H2
InChIKeyGCTVPBPBIYFPAZ-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

2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 43256363
2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 43256501
2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide
CID 43256148
2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide
CID 43256705
2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43555520
2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43256321
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
3-amino-N-(5-bromo-2-fluorophenyl)-5-fluorobenzenesulfonamide
CID 63322305
4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471931
2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986146
2-amino-4,6-dichloro-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43255926

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide (CID 43555514) is 2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide is Nc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc(Br)ccc1F.
What is the InChIKey of 2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide?
The InChIKey is GCTVPBPBIYFPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2FN2O2S/c13-6-1-2-9(16)11(3-6)18-21(19,20)12-8(15)4-7(14)5-10(12)17/h1-5,18H,17H2.
What are the key properties of 2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide?
2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide 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 2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 43555514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).