2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid

C12H15FN2O5S — CID 61011984

IUPAC2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)c1ccc(NC(C)=O)cc1F
InChIInChI=1S/C12H15FN2O5S/c1-3-15(7-12(17)18)21(19,20)11-5-4-9(6-10(11)13)14-8(2)16/h4-6H,3,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyOOYMYIKESLAMQP-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.88
Rot. Bonds6

About 2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid

2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid (PubChem CID 61011984) has the molecular formula C12H15FN2O5S and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid
PubChem CID61011984
Molecular FormulaC12H15FN2O5S
Molecular Weight318.33 g/mol
Exact Mass318.07
IUPAC Name2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)c1ccc(NC(C)=O)cc1F
InChIInChI=1S/C12H15FN2O5S/c1-3-15(7-12(17)18)21(19,20)11-5-4-9(6-10(11)13)14-8(2)16/h4-6H,3,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyOOYMYIKESLAMQP-UHFFFAOYSA-N
XLogP0.88
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide
CID 60956568
N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide
CID 115875772
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid
CID 60748669
2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid
CID 54900227
N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide
CID 39792493
2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103103881
2-[(2,4-dimethylphenyl)sulfonyl-ethylamino]acetic acid
CID 54900564
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid
CID 43427428
2-[ethyl-(2-fluoro-5-nitrophenyl)sulfonylamino]acetic acid
CID 61012923
2-[ethyl-(4-fluoro-2-nitrophenyl)sulfonylamino]acetic acid
CID 61012263
N-ethyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 79186950
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid?
The IUPAC name of 2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid (CID 61011984) is 2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid.
What is the SMILES notation for 2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid?
The canonical SMILES for 2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid is CCN(CC(=O)O)S(=O)(=O)c1ccc(NC(C)=O)cc1F.
What is the InChIKey of 2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid?
The InChIKey is OOYMYIKESLAMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O5S/c1-3-15(7-12(17)18)21(19,20)11-5-4-9(6-10(11)13)14-8(2)16/h4-6H,3,7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid?
2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid has a molecular weight of 318.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid is sourced from PubChem (CID 61011984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).