2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide

C11H13BrF2N2O3S — CID 65469928

IUPAC2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H13BrF2N2O3S/c1-20(18,19)3-2-9(15)11(17)16-10-7(13)4-6(12)5-8(10)14/h4-5,9H,2-3,15H2,1H3,(H,16,17)
InChIKeyAYWOBJGPUOZRLJ-UHFFFAOYSA-N
MW371.20 g/mol
LogP1.43
Rot. Bonds5

About 2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide

2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide (PubChem CID 65469928) has the molecular formula C11H13BrF2N2O3S and a molecular weight of 371.20 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide
PubChem CID65469928
Molecular FormulaC11H13BrF2N2O3S
Molecular Weight371.20 g/mol
Exact Mass369.98
IUPAC Name2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H13BrF2N2O3S/c1-20(18,19)3-2-9(15)11(17)16-10-7(13)4-6(12)5-8(10)14/h4-5,9H,2-3,15H2,1H3,(H,16,17)
InChIKeyAYWOBJGPUOZRLJ-UHFFFAOYSA-N
XLogP1.43
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide
CID 107600024
2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 81101709
(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
CID 79009037
2-amino-N-(2,5-difluoro-4-methylphenyl)-4-methylsulfonylbutanamide
CID 103586036
2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide
CID 24702867
2-amino-N-(5-bromo-2-methylphenyl)-4-methylsulfonylbutanamide
CID 43712537
2-amino-N-(3-fluoro-4-methylphenyl)-4-methylsulfonylbutanamide
CID 24699608
2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide
CID 43094521
(2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide
CID 107145817
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide
CID 114145118
2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide
CID 103827501
(2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide
CID 107568149

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide (CID 65469928) is 2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide?
The InChIKey is AYWOBJGPUOZRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O3S/c1-20(18,19)3-2-9(15)11(17)16-10-7(13)4-6(12)5-8(10)14/h4-5,9H,2-3,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide?
2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide has a molecular weight of 371.20 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 65469928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).