methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate

C11H15ClN2O4S — CID 54998458

IUPACmethyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate
SMILESCCN(CC(=O)OC)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H15ClN2O4S/c1-3-14(7-11(15)18-2)19(16,17)10-5-4-8(12)6-9(10)13/h4-6H,3,7,13H2,1-2H3
InChIKeyIKKXWRMVESXYGU-UHFFFAOYSA-N
MW306.77 g/mol
LogP1.11
Rot. Bonds5

About methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate

methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate (PubChem CID 54998458) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate
PubChem CID54998458
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Namemethyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate
SMILESCCN(CC(=O)OC)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H15ClN2O4S/c1-3-14(7-11(15)18-2)19(16,17)10-5-4-8(12)6-9(10)13/h4-6H,3,7,13H2,1-2H3
InChIKeyIKKXWRMVESXYGU-UHFFFAOYSA-N
XLogP1.11
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]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

methyl 2-[(2-amino-4-methylphenyl)sulfonyl-ethylamino]acetate
CID 54998555
2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103100989
methyl 2-[(2-amino-4-carbamoylphenyl)sulfonyl-ethylamino]acetate
CID 81466179
methyl 2-[(5-chloro-2-methylphenyl)sulfonyl-ethylamino]acetate
CID 54979246
2-amino-4-chloro-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61113089
2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
CID 43587327
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103101046
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 54888765
methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate
CID 61384024
2-amino-4-chloro-N-(2-cyanoethyl)-N-ethylbenzenesulfonamide
CID 61140226
methyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate
CID 54979377
methyl 2-[(2-bromo-4-fluorophenyl)sulfonyl-ethylamino]acetate
CID 61384576

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate?
The IUPAC name of methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate (CID 54998458) is methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate?
The canonical SMILES for methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate is CCN(CC(=O)OC)S(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate?
The InChIKey is IKKXWRMVESXYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-3-14(7-11(15)18-2)19(16,17)10-5-4-8(12)6-9(10)13/h4-6H,3,7,13H2,1-2H3.
What are the key properties of methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate?
methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate has a molecular weight of 306.77 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate is sourced from PubChem (CID 54998458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).