4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline

C11H16BrFN2O2S — CID 114808990

IUPAC4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline
SMILESCc1cc(Br)c(F)cc1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H16BrFN2O2S/c1-7-5-8(12)9(13)6-10(7)14-18(16,17)15-11(2,3)4/h5-6,14-15H,1-4H3
InChIKeyMUNHLBFVXMKBAZ-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.94
Rot. Bonds3

About 4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline

4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline (PubChem CID 114808990) has the molecular formula C11H16BrFN2O2S and a molecular weight of 339.23 g/mol. Its IUPAC name is 4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline
PubChem CID114808990
Molecular FormulaC11H16BrFN2O2S
Molecular Weight339.23 g/mol
Exact Mass338.01
IUPAC Name4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline
SMILESCc1cc(Br)c(F)cc1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H16BrFN2O2S/c1-7-5-8(12)9(13)6-10(7)14-18(16,17)15-11(2,3)4/h5-6,14-15H,1-4H3
InChIKeyMUNHLBFVXMKBAZ-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline
CID 114808991
2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline
CID 104516960
N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide
CID 107592659
5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline
CID 107592648
N-(4-bromo-5-fluoro-2-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816604
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 107593575
5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide
CID 106083113
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590884
2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590903
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103223919
4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline
CID 114804109

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline?
The IUPAC name of 4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline (CID 114808990) is 4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline.
What is the SMILES notation for 4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline?
The canonical SMILES for 4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline is Cc1cc(Br)c(F)cc1NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline?
The InChIKey is MUNHLBFVXMKBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2O2S/c1-7-5-8(12)9(13)6-10(7)14-18(16,17)15-11(2,3)4/h5-6,14-15H,1-4H3.
What are the key properties of 4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline?
4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline has a molecular weight of 339.23 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline is sourced from PubChem (CID 114808990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).