2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide

C13H11Br2FN2O2S — CID 107590903

IUPAC2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C13H11Br2FN2O2S/c1-7-4-10(16)9(15)6-12(7)18-21(19,20)13-3-2-8(14)5-11(13)17/h2-6,18H,17H2,1H3
InChIKeySCNWDULDVFNXPR-UHFFFAOYSA-N
MW438.12 g/mol
LogP4.04
Rot. Bonds3

About 2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide

2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide (PubChem CID 107590903) has the molecular formula C13H11Br2FN2O2S and a molecular weight of 438.12 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
PubChem CID107590903
Molecular FormulaC13H11Br2FN2O2S
Molecular Weight438.12 g/mol
Exact Mass435.89
IUPAC Name2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C13H11Br2FN2O2S/c1-7-4-10(16)9(15)6-12(7)18-21(19,20)13-3-2-8(14)5-11(13)17/h2-6,18H,17H2,1H3
InChIKeySCNWDULDVFNXPR-UHFFFAOYSA-N
XLogP4.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.12
LogP ≤ 54.04
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-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590884
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide
CID 103144770
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 107593575
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 107593897
2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43555520
2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 43555521
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81262415
3-amino-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590908
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103223919
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106491352
2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 60986250

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide (CID 107590903) is 2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide is Cc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide?
The InChIKey is SCNWDULDVFNXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FN2O2S/c1-7-4-10(16)9(15)6-12(7)18-21(19,20)13-3-2-8(14)5-11(13)17/h2-6,18H,17H2,1H3.
What are the key properties of 2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide?
2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide has a molecular weight of 438.12 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 107590903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).