methyl 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-methylpropanoate

C11H13BrFNO4S — CID 61059052

IUPACmethyl 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H13BrFNO4S/c1-11(2,10(15)18-3)14-19(16,17)9-5-4-7(13)6-8(9)12/h4-6,14H,1-3H3
InChIKeyFIOKLIZPOFAMMX-UHFFFAOYSA-N
MW354.20 g/mol
LogP1.82
Rot. Bonds4

About methyl 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-methylpropanoate

methyl 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-methylpropanoate (PubChem CID 61059052) has the molecular formula C11H13BrFNO4S and a molecular weight of 354.20 g/mol. Its IUPAC name is methyl 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-methylpropanoate
PubChem CID61059052
Molecular FormulaC11H13BrFNO4S
Molecular Weight354.20 g/mol
Exact Mass352.97
IUPAC Namemethyl 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H13BrFNO4S/c1-11(2,10(15)18-3)14-19(16,17)9-5-4-7(13)6-8(9)12/h4-6,14H,1-3H3
InChIKeyFIOKLIZPOFAMMX-UHFFFAOYSA-N
XLogP1.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54922007
methyl 2-[(3-fluoro-4-methylphenyl)sulfonylamino]-2-methylpropanoate
CID 39655364
methyl 2-[(4-bromophenyl)sulfonylamino]-2-methylpropanoate
CID 60744572
methyl 4-[(2-bromo-4-fluorophenyl)sulfonylamino]butanoate
CID 61060420
2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47204744
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 66170192
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
CID 115310013
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 47257541
2-[[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-methylpropanoic acid
CID 71246717
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47304636
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47305418

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-methylpropanoate (CID 61059052) is methyl 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-methylpropanoate is COC(=O)C(C)(C)NS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of methyl 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-methylpropanoate?
The InChIKey is FIOKLIZPOFAMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO4S/c1-11(2,10(15)18-3)14-19(16,17)9-5-4-7(13)6-8(9)12/h4-6,14H,1-3H3.
What are the key properties of methyl 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-methylpropanoate?
methyl 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-methylpropanoate has a molecular weight of 354.20 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-methylpropanoate is sourced from PubChem (CID 61059052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).