ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate

C11H14ClNO4S — CID 54921322

IUPACethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C11H14ClNO4S/c1-3-17-11(14)7-13-18(15,16)10-6-9(12)5-4-8(10)2/h4-6,13H,3,7H2,1-2H3
InChIKeyFQMDKXJEIYFZKK-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.49
Rot. Bonds5

About ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate

ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate (PubChem CID 54921322) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate
PubChem CID54921322
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Nameethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C11H14ClNO4S/c1-3-17-11(14)7-13-18(15,16)10-6-9(12)5-4-8(10)2/h4-6,13H,3,7H2,1-2H3
InChIKeyFQMDKXJEIYFZKK-UHFFFAOYSA-N
XLogP1.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate 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

ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 54921408
ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate
CID 60812241
2-[[(5-chloro-2-methylphenyl)sulfonylamino]methyl]-2-ethylbutanoic acid
CID 115429946
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878708
3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43245307
ethyl 2-[(3-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921197
3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173227
ethyl 2-[(4-chloro-2-methyl-5-nitrophenyl)sulfonylamino]acetate
CID 80719162
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 3861490
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
ethyl 4-[(4-chloro-2-methoxyphenyl)sulfonylamino]butanoate
CID 60716385

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate (CID 54921322) is ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1cc(Cl)ccc1C.
What is the InChIKey of ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate?
The InChIKey is FQMDKXJEIYFZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-3-17-11(14)7-13-18(15,16)10-6-9(12)5-4-8(10)2/h4-6,13H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate?
ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate has a molecular weight of 291.76 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 54921322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).