2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-ethylamino]acetamide

C11H16FN3O3S — CID 103101040

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

About 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-ethylamino]acetamide

2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-ethylamino]acetamide (PubChem CID 103101040) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-ethylamino]acetamide
PubChem CID103101040
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1cc(C)c(F)c(N)c1
InChIInChI=1S/C11H16FN3O3S/c1-3-15(6-10(14)16)19(17,18)8-4-7(2)11(12)9(13)5-8/h4-5H,3,6,13H2,1-2H3,(H2,14,16)
InChIKeyMDQAYQHEEDWFQX-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-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101048
methyl 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-propylamino]acetate
CID 115421337
2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587581
2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114656
3-amino-4-fluoro-N,5-dimethyl-N-pentan-3-ylbenzenesulfonamide
CID 115421259
2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 80642681
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101051
3-amino-4-fluoro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 115421301
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide
CID 43268301
2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 103101685
2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101019

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-ethylamino]acetamide (CID 103101040) is 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-ethylamino]acetamide is CCN(CC(N)=O)S(=O)(=O)c1cc(C)c(F)c(N)c1.
What is the InChIKey of 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is MDQAYQHEEDWFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-3-15(6-10(14)16)19(17,18)8-4-7(2)11(12)9(13)5-8/h4-5H,3,6,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-ethylamino]acetamide?
2-[(3-amino-4-fluoro-5-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-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 103101040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).