ethyl 2-[(4-chlorophenyl)sulfonylmethylamino]acetate

C11H14ClNO4S — CID 67367148

IUPACethyl 2-[(4-chlorophenyl)sulfonylmethylamino]acetate
SMILESCCOC(=O)CNCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO4S/c1-2-17-11(14)7-13-8-18(15,16)10-5-3-9(12)4-6-10/h3-6,13H,2,7-8H2,1H3
InChIKeyLURNVZIQMZYBII-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.22
Rot. Bonds6

About ethyl 2-[(4-chlorophenyl)sulfonylmethylamino]acetate

ethyl 2-[(4-chlorophenyl)sulfonylmethylamino]acetate (PubChem CID 67367148) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is ethyl 2-[(4-chlorophenyl)sulfonylmethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-chlorophenyl)sulfonylmethylamino]acetate
PubChem CID67367148
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Nameethyl 2-[(4-chlorophenyl)sulfonylmethylamino]acetate
SMILESCCOC(=O)CNCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO4S/c1-2-17-11(14)7-13-8-18(15,16)10-5-3-9(12)4-6-10/h3-6,13H,2,7-8H2,1H3
InChIKeyLURNVZIQMZYBII-UHFFFAOYSA-N
XLogP1.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chlorophenyl)sulfonylmethylamino]acetate?
The IUPAC name of ethyl 2-[(4-chlorophenyl)sulfonylmethylamino]acetate (CID 67367148) is ethyl 2-[(4-chlorophenyl)sulfonylmethylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-chlorophenyl)sulfonylmethylamino]acetate?
The canonical SMILES for ethyl 2-[(4-chlorophenyl)sulfonylmethylamino]acetate is CCOC(=O)CNCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[(4-chlorophenyl)sulfonylmethylamino]acetate?
The InChIKey is LURNVZIQMZYBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-2-17-11(14)7-13-8-18(15,16)10-5-3-9(12)4-6-10/h3-6,13H,2,7-8H2,1H3.
What are the key properties of ethyl 2-[(4-chlorophenyl)sulfonylmethylamino]acetate?
ethyl 2-[(4-chlorophenyl)sulfonylmethylamino]acetate has a molecular weight of 291.76 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chlorophenyl)sulfonylmethylamino]acetate is sourced from PubChem (CID 67367148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).