2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide

C11H16FN3O3S — CID 103101048

IUPAC2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1cc(N)c(C)cc1F
InChIInChI=1S/C11H16FN3O3S/c1-3-15(6-11(14)16)19(17,18)10-5-9(13)7(2)4-8(10)12/h4-5H,3,6,13H2,1-2H3,(H2,14,16)
InChIKeyZMGGMIJXGBSCCC-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.21
Rot. Bonds5

About 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide

2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide (PubChem CID 103101048) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide
PubChem CID103101048
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1cc(N)c(C)cc1F
InChIInChI=1S/C11H16FN3O3S/c1-3-15(6-11(14)16)19(17,18)10-5-9(13)7(2)4-8(10)12/h4-5H,3,6,13H2,1-2H3,(H2,14,16)
InChIKeyZMGGMIJXGBSCCC-UHFFFAOYSA-N
XLogP0.21
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103103881
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101051
2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101040
2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide
CID 103101779
5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide
CID 29269932
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103101046
2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103100989
2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101019
2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide
CID 103103884
5-amino-4-bromo-N-[3-(dimethylamino)propyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 102990980
2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 80642681

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide (CID 103101048) is 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide is CCN(CC(N)=O)S(=O)(=O)c1cc(N)c(C)cc1F.
What is the InChIKey of 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is ZMGGMIJXGBSCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-3-15(6-11(14)16)19(17,18)10-5-9(13)7(2)4-8(10)12/h4-5H,3,6,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide?
2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 289.33 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 103101048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).