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

C17H18ClNO4S — CID 134959203

IUPACethyl (2S)-2-(2-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO4S/c1-3-23-17(20)16(14-6-4-5-7-15(14)18)19-24(21,22)13-10-8-12(2)9-11-13/h4-11,16,19H,3H2,1-2H3/t16-/m0/s1
InChIKeyMFAGNLOQJRIISH-INIZCTEOSA-N
MW367.85 g/mol
LogP3.23
Rot. Bonds6

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

ethyl (2S)-2-(2-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 134959203) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is ethyl (2S)-2-(2-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl (2S)-2-(2-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID134959203
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Nameethyl (2S)-2-(2-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO4S/c1-3-23-17(20)16(14-6-4-5-7-15(14)18)19-24(21,22)13-10-8-12(2)9-11-13/h4-11,16,19H,3H2,1-2H3/t16-/m0/s1
InChIKeyMFAGNLOQJRIISH-INIZCTEOSA-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 (2S)-2-(2-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

Methyl 2-(4-methylphenylsulfonamido)-2-phenylacetate
CID 2765029
3-(4-Chlorophenyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanoic acid
CID 2766962
(S)-2-(4-chlorophenylsulfonamido)-2-phenylacetic acid
CID 737241
(2R)-2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid
CID 737242
Methyl 2-{[(2-chlorophenyl)sulfonyl]amino}-2-phenylacetate
CID 2765075
alpha-(((4-Chlorophenyl)sulfonyl)amino)benzeneacetic acid
CID 2765028
2-(4-Chloro-benzenesulfonylamino)-3-Phenyl-propionic acid methyl ester
CID 3330873
ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-2-[3-(trifluoromethyl)phenyl]acetate
CID 134959483
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 7188139
Ethyl 2-((4-methylphenyl)sulfonamido)-2-phenylacetate
CID 3872198
Ethyl (S)-2-((4-methylphenyl)sulfonamido)-2-phenylacetate
CID 67891407
Tert-butyl 2-[(3-fluorophenyl)sulfonylamino]-2-phenylacetate
CID 6734573

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(2-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of ethyl (2S)-2-(2-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate (CID 134959203) is ethyl (2S)-2-(2-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl (2S)-2-(2-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for ethyl (2S)-2-(2-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate is CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1Cl.
What is the InChIKey of ethyl (2S)-2-(2-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is MFAGNLOQJRIISH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-3-23-17(20)16(14-6-4-5-7-15(14)18)19-24(21,22)13-10-8-12(2)9-11-13/h4-11,16,19H,3H2,1-2H3/t16-/m0/s1.
What are the key properties of ethyl (2S)-2-(2-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate?
ethyl (2S)-2-(2-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 (2S)-2-(2-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 134959203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).