2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide

C13H12BrFN2O2S — CID 60986250

IUPAC2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H12BrFN2O2S/c1-8-6-9(14)2-5-12(8)17-20(18,19)13-7-10(15)3-4-11(13)16/h2-7,17H,16H2,1H3
InChIKeyVEBADNVWBPFTKZ-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.28
Rot. Bonds3

About 2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide

2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide (PubChem CID 60986250) has the molecular formula C13H12BrFN2O2S and a molecular weight of 359.22 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide
PubChem CID60986250
Molecular FormulaC13H12BrFN2O2S
Molecular Weight359.22 g/mol
Exact Mass357.98
IUPAC Name2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H12BrFN2O2S/c1-8-6-9(14)2-5-12(8)17-20(18,19)13-7-10(15)3-4-11(13)16/h2-7,17H,16H2,1H3
InChIKeyVEBADNVWBPFTKZ-UHFFFAOYSA-N
XLogP3.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.28
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-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide
CID 61472212
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide
CID 60986095
2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28556510
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590884
4-amino-N-(4-bromo-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 82844080
4-amino-2-bromo-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 43256139
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 46800107
5-amino-4-bromo-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 114625024
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659
2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433428
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 43550987

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide (CID 60986250) is 2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide is Cc1cc(Br)ccc1NS(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide?
The InChIKey is VEBADNVWBPFTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2S/c1-8-6-9(14)2-5-12(8)17-20(18,19)13-7-10(15)3-4-11(13)16/h2-7,17H,16H2,1H3.
What are the key properties of 2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide?
2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide has a molecular weight of 359.22 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 60986250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).