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

C17H18ClNO4S — CID 24777338

IUPACethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCCOC(=O)C(NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO4S/c1-3-23-17(20)16(13-6-8-14(18)9-7-13)19-24(21,22)15-10-4-12(2)5-11-15/h4-11,16,19H,3H2,1-2H3
InChIKeyYJKBHTKATUGIMK-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.23
Rot. Bonds6

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

ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 24777338) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID24777338
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Nameethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCCOC(=O)C(NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO4S/c1-3-23-17(20)16(13-6-8-14(18)9-7-13)19-24(21,22)15-10-4-12(2)5-11-15/h4-11,16,19H,3H2,1-2H3
InChIKeyYJKBHTKATUGIMK-UHFFFAOYSA-N
XLogP3.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-chlorophenyl)-2-[(4-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 (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
N-[1-(4-chlorophenyl)-2-methoxyprop-2-enyl]-4-methylbenzenesulfonamide
CID 11302594
ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate
CID 3703536
diethyl 2-[(4-methylphenyl)-[(4-methylphenyl)sulfonylamino]methyl]propanedioate
CID 23659117
ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698
methyl 3-(4-chlorophenyl)-2-diazo-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 72821314
methyl (E)-2-[(4-chlorophenyl)-[(4-methylphenyl)sulfonylamino]methyl]-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
CID 24812919
ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate
CID 5009964
ethylsulfanyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67587191
ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5004126
(Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium
CID 11372807
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate (CID 24777338) is ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate is CCOC(=O)C(NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is YJKBHTKATUGIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-3-23-17(20)16(13-6-8-14(18)9-7-13)19-24(21,22)15-10-4-12(2)5-11-15/h4-11,16,19H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate?
ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 367.85 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 24777338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).