2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide

C11H14BrFN2O3S — CID 107600024

IUPAC2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C11H14BrFN2O3S/c1-19(17,18)6-5-9(14)11(16)15-10-7(12)3-2-4-8(10)13/h2-4,9H,5-6,14H2,1H3,(H,15,16)
InChIKeyFKXCDKWHTQBPHU-UHFFFAOYSA-N
MW353.21 g/mol
LogP1.29
Rot. Bonds5

About 2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide

2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide (PubChem CID 107600024) has the molecular formula C11H14BrFN2O3S and a molecular weight of 353.21 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide
PubChem CID107600024
Molecular FormulaC11H14BrFN2O3S
Molecular Weight353.21 g/mol
Exact Mass351.99
IUPAC Name2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C11H14BrFN2O3S/c1-19(17,18)6-5-9(14)11(16)15-10-7(12)3-2-4-8(10)13/h2-4,9H,5-6,14H2,1H3,(H,15,16)
InChIKeyFKXCDKWHTQBPHU-UHFFFAOYSA-N
XLogP1.29
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-bromo-6-fluorophenyl)butanamide
CID 107599827
(2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide
CID 107599885
2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide
CID 65469928
2-amino-N-(2,6-difluorophenyl)hexanamide
CID 54928730
N-(2-bromo-6-fluorophenyl)-2-carbamothioylpentanamide
CID 107600452
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
3-amino-1-(2,3-difluorophenyl)-5-methylsulfonylpentan-2-one
CID 116552117
2-amino-N-(3-fluoro-4-methylphenyl)-4-methylsulfonylbutanamide
CID 24699608
(2R)-2-amino-N-(2-chloro-6-fluorophenyl)pentanamide
CID 107570747
2-amino-N-(2,5-difluoro-4-methylphenyl)-4-methylsulfonylbutanamide
CID 103586036
N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide
CID 43109034
(2S)-2-amino-N-(2-fluoro-6-methylphenyl)hexanamide
CID 107146650

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide (CID 107600024) is 2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)Nc1c(F)cccc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide?
The InChIKey is FKXCDKWHTQBPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O3S/c1-19(17,18)6-5-9(14)11(16)15-10-7(12)3-2-4-8(10)13/h2-4,9H,5-6,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide?
2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide has a molecular weight of 353.21 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 107600024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).