ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate

C17H18ClNO4S — CID 5004126

IUPACethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO4S/c1-2-23-17(20)16(12-13-6-4-3-5-7-13)19-24(21,22)15-10-8-14(18)9-11-15/h3-11,16,19H,2,12H2,1H3
InChIKeyVNMYYXUTDDGYPA-UHFFFAOYSA-N
MW367.85 g/mol
LogP2.79
Rot. Bonds7

About ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate

ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 5004126) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID5004126
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Nameethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO4S/c1-2-23-17(20)16(12-13-6-4-3-5-7-13)19-24(21,22)15-10-8-14(18)9-11-15/h3-11,16,19H,2,12H2,1H3
InChIKeyVNMYYXUTDDGYPA-UHFFFAOYSA-N
XLogP2.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3798120
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
CID 7112317
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 7030623
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 41374224
(2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40601003
N-(4-chlorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891461
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
[[2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]-ethylamino]thiourea
CID 91075550
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3673321
2-[(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)-3-phenylpropanamide
CID 5108228
(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 1112091

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate (CID 5004126) is ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is VNMYYXUTDDGYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-2-23-17(20)16(12-13-6-4-3-5-7-13)19-24(21,22)15-10-8-14(18)9-11-15/h3-11,16,19H,2,12H2,1H3.
What are the key properties of ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate?
ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate has a molecular weight of 367.85 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 5004126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).