ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate

C10H13ClN2O4S — CID 60812241

IUPACethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H13ClN2O4S/c1-2-17-10(14)6-13-18(15,16)9-4-3-7(11)5-8(9)12/h3-5,13H,2,6,12H2,1H3
InChIKeyJAPYRHPNUYSBIC-UHFFFAOYSA-N
MW292.74 g/mol
LogP0.76
Rot. Bonds5

About ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate

ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate (PubChem CID 60812241) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate
PubChem CID60812241
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Nameethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H13ClN2O4S/c1-2-17-10(14)6-13-18(15,16)9-4-3-7(11)5-8(9)12/h3-5,13H,2,6,12H2,1H3
InChIKeyJAPYRHPNUYSBIC-UHFFFAOYSA-N
XLogP0.76
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921322
ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 54921408
2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345872
2-amino-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139679
3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274947
ethyl 2-[(3-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921197
2-amino-4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242744
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 12634204
2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide
CID 113495498
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 3861490
2-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
CID 54888759

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate (CID 60812241) is ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate?
The InChIKey is JAPYRHPNUYSBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c1-2-17-10(14)6-13-18(15,16)9-4-3-7(11)5-8(9)12/h3-5,13H,2,6,12H2,1H3.
What are the key properties of ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate?
ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate has a molecular weight of 292.74 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 60812241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).