4-bromo-5-fluoro-2-methylsulfonylaniline

C7H7BrFNO2S — CID 116736764

IUPAC4-bromo-5-fluoro-2-methylsulfonylaniline
SMILESCS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C7H7BrFNO2S/c1-13(11,12)7-2-4(8)5(9)3-6(7)10/h2-3H,10H2,1H3
InChIKeyXRGHVVFAJBPWID-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.57
Rot. Bonds1

About 4-bromo-5-fluoro-2-methylsulfonylaniline

4-bromo-5-fluoro-2-methylsulfonylaniline (PubChem CID 116736764) has the molecular formula C7H7BrFNO2S and a molecular weight of 268.11 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-methylsulfonylaniline.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-methylsulfonylaniline
PubChem CID116736764
Molecular FormulaC7H7BrFNO2S
Molecular Weight268.11 g/mol
Exact Mass266.94
IUPAC Name4-bromo-5-fluoro-2-methylsulfonylaniline
SMILESCS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C7H7BrFNO2S/c1-13(11,12)7-2-4(8)5(9)3-6(7)10/h2-3H,10H2,1H3
InChIKeyXRGHVVFAJBPWID-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-bromo-5-fluoro-2-methylsulfonylaniline 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

2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 106491295
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106491921
2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide
CID 106491371
4,6-bis(methylsulfonyl)benzene-1,3-diamine
CID 177497967
2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide
CID 106491360
2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 106491423
2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 106491799
methyl 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]propanoate
CID 106491644
2-amino-5-bromo-4-fluoro-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106492061
2-amino-5-bromo-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 106491530
2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106491327
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-methylsulfonylaniline?
The IUPAC name of 4-bromo-5-fluoro-2-methylsulfonylaniline (CID 116736764) is 4-bromo-5-fluoro-2-methylsulfonylaniline.
What is the SMILES notation for 4-bromo-5-fluoro-2-methylsulfonylaniline?
The canonical SMILES for 4-bromo-5-fluoro-2-methylsulfonylaniline is CS(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 4-bromo-5-fluoro-2-methylsulfonylaniline?
The InChIKey is XRGHVVFAJBPWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO2S/c1-13(11,12)7-2-4(8)5(9)3-6(7)10/h2-3H,10H2,1H3.
What are the key properties of 4-bromo-5-fluoro-2-methylsulfonylaniline?
4-bromo-5-fluoro-2-methylsulfonylaniline has a molecular weight of 268.11 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-methylsulfonylaniline is sourced from PubChem (CID 116736764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).