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

C10H11ClFNO4S — CID 54900227

IUPAC2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO4S/c1-2-13(6-10(14)15)18(16,17)9-4-3-7(12)5-8(9)11/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyIXABFTUUOZXEAD-UHFFFAOYSA-N
MW295.72 g/mol
LogP1.57
Rot. Bonds5

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

2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid (PubChem CID 54900227) has the molecular formula C10H11ClFNO4S and a molecular weight of 295.72 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid
PubChem CID54900227
Molecular FormulaC10H11ClFNO4S
Molecular Weight295.72 g/mol
Exact Mass295.01
IUPAC Name2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO4S/c1-2-13(6-10(14)15)18(16,17)9-4-3-7(12)5-8(9)11/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyIXABFTUUOZXEAD-UHFFFAOYSA-N
XLogP1.57
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chloro-4-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

2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60827819
2-[ethyl-(4-fluoro-2-nitrophenyl)sulfonylamino]acetic acid
CID 61012263
2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide
CID 115610807
2-[(2-chloro-4-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829976
2-[(2,4-dimethylphenyl)sulfonyl-ethylamino]acetic acid
CID 54900564
2-[(2-chloro-4-methylphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261963
2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid
CID 61011984
2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79701650
2-[(4-fluoro-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62033701
2-[(2-amino-2-oxoethyl)-(2-chloro-4-methylphenyl)sulfonylamino]acetic acid
CID 107435628
2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587561
3-[(4-bromo-2-chlorophenyl)sulfonyl-ethylamino]propanoic acid
CID 61009612

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid (CID 54900227) is 2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid is CCN(CC(=O)O)S(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid?
The InChIKey is IXABFTUUOZXEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO4S/c1-2-13(6-10(14)15)18(16,17)9-4-3-7(12)5-8(9)11/h3-5H,2,6H2,1H3,(H,14,15).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid?
2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid has a molecular weight of 295.72 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid is sourced from PubChem (CID 54900227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).