2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide

C12H8BrClF2N2O2S — CID 65469250

IUPAC2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide
SMILESNc1ccc(Cl)cc1S(=O)(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H8BrClF2N2O2S/c13-6-3-8(15)12(9(16)4-6)18-21(19,20)11-5-7(14)1-2-10(11)17/h1-5,18H,17H2
InChIKeyBKCVOZGCRUAQJI-UHFFFAOYSA-N
MW397.63 g/mol
LogP3.76
Rot. Bonds3

About 2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide

2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide (PubChem CID 65469250) has the molecular formula C12H8BrClF2N2O2S and a molecular weight of 397.63 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide
PubChem CID65469250
Molecular FormulaC12H8BrClF2N2O2S
Molecular Weight397.63 g/mol
Exact Mass395.91
IUPAC Name2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide
SMILESNc1ccc(Cl)cc1S(=O)(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H8BrClF2N2O2S/c13-6-3-8(15)12(9(16)4-6)18-21(19,20)11-5-7(14)1-2-10(11)17/h1-5,18H,17H2
InChIKeyBKCVOZGCRUAQJI-UHFFFAOYSA-N
XLogP3.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.63
LogP ≤ 53.76
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-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986146
2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide
CID 83072869
2-amino-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986083
N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide
CID 43550659
2-amino-5-bromo-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81262723
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-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide
CID 60986095
3-amino-5-bromo-N-(5-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 114378862
2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837085
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
2-amino-5-bromo-N-(2-bromo-6-fluorophenyl)benzenesulfonamide
CID 107596358

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide (CID 65469250) is 2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide is Nc1ccc(Cl)cc1S(=O)(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide?
The InChIKey is BKCVOZGCRUAQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF2N2O2S/c13-6-3-8(15)12(9(16)4-6)18-21(19,20)11-5-7(14)1-2-10(11)17/h1-5,18H,17H2.
What are the key properties of 2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide?
2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide has a molecular weight of 397.63 g/mol, XLogP of 3.76, 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-2,6-difluorophenyl)-5-chlorobenzenesulfonamide is sourced from PubChem (CID 65469250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).