2-bromo-6-fluoro-4-methylsulfonylaniline

C7H7BrFNO2S — CID 118235372

IUPAC2-bromo-6-fluoro-4-methylsulfonylaniline
SMILESCS(=O)(=O)c1cc(F)c(N)c(Br)c1
InChIInChI=1S/C7H7BrFNO2S/c1-13(11,12)4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
InChIKeyIQGWEXWCBOTZDR-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.57
Rot. Bonds1

About 2-bromo-6-fluoro-4-methylsulfonylaniline

2-bromo-6-fluoro-4-methylsulfonylaniline (PubChem CID 118235372) has the molecular formula C7H7BrFNO2S and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-bromo-6-fluoro-4-methylsulfonylaniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-4-methylsulfonylaniline
PubChem CID118235372
Molecular FormulaC7H7BrFNO2S
Molecular Weight268.11 g/mol
Exact Mass266.94
IUPAC Name2-bromo-6-fluoro-4-methylsulfonylaniline
SMILESCS(=O)(=O)c1cc(F)c(N)c(Br)c1
InChIInChI=1S/C7H7BrFNO2S/c1-13(11,12)4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
InChIKeyIQGWEXWCBOTZDR-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'}

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Related Compounds

4-Amino-3,5-dibromobenzenesulfonamide
CID 3084733
4-Amino-3-bromo-5-fluorobenzene-1-sulfonamide
CID 10869299
4-Amino-3-bromo-5-iodobenzene-1-sulfonamide
CID 11036198
4-Amino-3-bromobenzene-1-sulfonyl fluoride
CID 18930966
3,5-dibromosulfanilic acid sodium salt
CID 71311278
4-Amino-3,5-dibromobenzenesulfonic acid
CID 5173465
2-Bromo-4-methanesulfonylaniline
CID 20134402
2-Bromo-5-fluoro-4-thiocyanatoaniline
CID 46739314
2-Bromo-4-(trifluoromethanesulfonyl)aniline
CID 53424367
(2-Bromo-4-(methylsulfonyl)phenyl)hydrazine
CID 2761068
2-Amino-3-bromobenzene-1-sulfonyl fluoride
CID 165948479
2,4-Dibromo-6-(difluoromethanesulfonyl)aniline
CID 13218913

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-4-methylsulfonylaniline?
The IUPAC name of 2-bromo-6-fluoro-4-methylsulfonylaniline (CID 118235372) is 2-bromo-6-fluoro-4-methylsulfonylaniline.
What is the SMILES notation for 2-bromo-6-fluoro-4-methylsulfonylaniline?
The canonical SMILES for 2-bromo-6-fluoro-4-methylsulfonylaniline is CS(=O)(=O)c1cc(F)c(N)c(Br)c1.
What is the InChIKey of 2-bromo-6-fluoro-4-methylsulfonylaniline?
The InChIKey is IQGWEXWCBOTZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO2S/c1-13(11,12)4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3.
What are the key properties of 2-bromo-6-fluoro-4-methylsulfonylaniline?
2-bromo-6-fluoro-4-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 2-bromo-6-fluoro-4-methylsulfonylaniline is sourced from PubChem (CID 118235372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).