2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide

C10H14FN3O3S — CID 103101009

IUPAC2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C10H14FN3O3S/c1-2-14(6-10(13)15)18(16,17)9-5-7(12)3-4-8(9)11/h3-5H,2,6,12H2,1H3,(H2,13,15)
InChIKeyKZDAHSWOKWEEBZ-UHFFFAOYSA-N
MW275.30 g/mol
LogP-0.10
Rot. Bonds5

About 2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide

2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide (PubChem CID 103101009) has the molecular formula C10H14FN3O3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
PubChem CID103101009
Molecular FormulaC10H14FN3O3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C10H14FN3O3S/c1-2-14(6-10(13)15)18(16,17)9-5-7(12)3-4-8(9)11/h3-5H,2,6,12H2,1H3,(H2,13,15)
InChIKeyKZDAHSWOKWEEBZ-UHFFFAOYSA-N
XLogP-0.10
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-0.10
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]-N,N-dimethylacetamide
CID 43587604
2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide
CID 103101779
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101051
2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101048
5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103100991
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103101046
2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103100989
2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103103881
5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61140970
5-amino-N-(2-cyanopropyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 61141061
5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43265424
5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140112

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of 2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide (CID 103101009) is 2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for 2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for 2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide is CCN(CC(N)=O)S(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is KZDAHSWOKWEEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c1-2-14(6-10(13)15)18(16,17)9-5-7(12)3-4-8(9)11/h3-5H,2,6,12H2,1H3,(H2,13,15).
What are the key properties of 2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide?
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 275.30 g/mol, XLogP of -0.10, 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-fluorophenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 103101009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).