methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

C17H18ClNO5S — CID 5010476

IUPACmethyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H18ClNO5S/c1-23-14-7-9-15(10-8-14)25(21,22)19-16(17(20)24-2)11-12-3-5-13(18)6-4-12/h3-10,16,19H,11H2,1-2H3
InChIKeyYCJHORWNZVGFLU-UHFFFAOYSA-N
MW383.85 g/mol
LogP2.41
Rot. Bonds7

About methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (PubChem CID 5010476) has the molecular formula C17H18ClNO5S and a molecular weight of 383.85 g/mol. Its IUPAC name is methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
PubChem CID5010476
Molecular FormulaC17H18ClNO5S
Molecular Weight383.85 g/mol
Exact Mass383.06
IUPAC Namemethyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H18ClNO5S/c1-23-14-7-9-15(10-8-14)25(21,22)19-16(17(20)24-2)11-12-3-5-13(18)6-4-12/h3-10,16,19H,11H2,1-2H3
InChIKeyYCJHORWNZVGFLU-UHFFFAOYSA-N
XLogP2.41
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate 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

(2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 2338691
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
methyl 3-(4-chlorophenyl)-2-[(2,5-dimethoxyphenyl)sulfonylamino]propanoate
CID 3778391
methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 57153558
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 1112091
methyl 2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoate
CID 2765031
ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5004126
methyl 3-(4-chlorophenyl)-2-(naphthalen-1-ylsulfonylamino)propanoate
CID 3876135
methyl (2R)-3-(4-nitrophenyl)-2-[(4-nitrophenyl)sulfonylamino]propanoate
CID 140538332
methyl (2S)-3-(4-nitrophenyl)-2-[(4-nitrophenyl)sulfonylamino]propanoate
CID 86631884
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (CID 5010476) is methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is COC(=O)C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The InChIKey is YCJHORWNZVGFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S/c1-23-14-7-9-15(10-8-14)25(21,22)19-16(17(20)24-2)11-12-3-5-13(18)6-4-12/h3-10,16,19H,11H2,1-2H3.
What are the key properties of methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate has a molecular weight of 383.85 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 5010476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).