2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid

C11H14ClNO5S — CID 110504575

IUPAC2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid
SMILESCC(OCCNS(=O)(=O)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C11H14ClNO5S/c1-8(11(14)15)18-7-6-13-19(16,17)10-5-3-2-4-9(10)12/h2-5,8,13H,6-7H2,1H3,(H,14,15)
InChIKeyYGTITFYJNIPNRD-UHFFFAOYSA-N
MW307.75 g/mol
LogP1.11
Rot. Bonds7

About 2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid

2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid (PubChem CID 110504575) has the molecular formula C11H14ClNO5S and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid
PubChem CID110504575
Molecular FormulaC11H14ClNO5S
Molecular Weight307.75 g/mol
Exact Mass307.03
IUPAC Name2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid
SMILESCC(OCCNS(=O)(=O)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C11H14ClNO5S/c1-8(11(14)15)18-7-6-13-19(16,17)10-5-3-2-4-9(10)12/h2-5,8,13H,6-7H2,1H3,(H,14,15)
InChIKeyYGTITFYJNIPNRD-UHFFFAOYSA-N
XLogP1.11
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 7509950
2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide
CID 30171874
(2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935868
methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate
CID 104600714
2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 27509470
2-chloro-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523486
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide
CID 39364398
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457
2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912476
2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid
CID 64583138
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 26008544

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid?
The IUPAC name of 2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid (CID 110504575) is 2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid?
The canonical SMILES for 2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid is CC(OCCNS(=O)(=O)c1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid?
The InChIKey is YGTITFYJNIPNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5S/c1-8(11(14)15)18-7-6-13-19(16,17)10-5-3-2-4-9(10)12/h2-5,8,13H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid?
2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid has a molecular weight of 307.75 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid is sourced from PubChem (CID 110504575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).