3-amino-5-bromo-N-(3-fluorophenyl)-2-methylbenzenesulfonamide

C13H12BrFN2O2S — CID 114378569

IUPAC3-amino-5-bromo-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cc(Br)cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H12BrFN2O2S/c1-8-12(16)5-9(14)6-13(8)20(18,19)17-11-4-2-3-10(15)7-11/h2-7,17H,16H2,1H3
InChIKeyOLPJGOWRBKPUAN-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.28
Rot. Bonds3

About 3-amino-5-bromo-N-(3-fluorophenyl)-2-methylbenzenesulfonamide

3-amino-5-bromo-N-(3-fluorophenyl)-2-methylbenzenesulfonamide (PubChem CID 114378569) has the molecular formula C13H12BrFN2O2S and a molecular weight of 359.22 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(3-fluorophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
PubChem CID114378569
Molecular FormulaC13H12BrFN2O2S
Molecular Weight359.22 g/mol
Exact Mass357.98
IUPAC Name3-amino-5-bromo-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cc(Br)cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H12BrFN2O2S/c1-8-12(16)5-9(14)6-13(8)20(18,19)17-11-4-2-3-10(15)7-11/h2-7,17H,16H2,1H3
InChIKeyOLPJGOWRBKPUAN-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'}

Analyze 3-amino-5-bromo-N-(3-fluorophenyl)-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(4-bromophenyl)-2-methylbenzene-1-sulfonamide
CID 3388855
3-amino-N-(2-bromo-5-methylphenyl)benzene-1-sulfonamide
CID 5176868
N-(4-bromo-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 798927
4-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 4216366
N-(4-bromophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 1190453
2-bromo-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 2579148
N-(4-bromo-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 4882654
2-bromo-4,6-difluoro-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17544605
N-(3-Bromo-4-methylphenyl)-4-fluoro-1-benzenesulfonamide
CID 4526892
N-(3-bromophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 2486486
3-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3667625
N-(3-bromophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3687836

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(3-fluorophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-bromo-N-(3-fluorophenyl)-2-methylbenzenesulfonamide (CID 114378569) is 3-amino-5-bromo-N-(3-fluorophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-bromo-N-(3-fluorophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-bromo-N-(3-fluorophenyl)-2-methylbenzenesulfonamide is Cc1c(N)cc(Br)cc1S(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of 3-amino-5-bromo-N-(3-fluorophenyl)-2-methylbenzenesulfonamide?
The InChIKey is OLPJGOWRBKPUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2S/c1-8-12(16)5-9(14)6-13(8)20(18,19)17-11-4-2-3-10(15)7-11/h2-7,17H,16H2,1H3.
What are the key properties of 3-amino-5-bromo-N-(3-fluorophenyl)-2-methylbenzenesulfonamide?
3-amino-5-bromo-N-(3-fluorophenyl)-2-methylbenzenesulfonamide 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 3-amino-5-bromo-N-(3-fluorophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114378569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).