ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate

C17H17Cl2NO4S — CID 3798120

IUPACethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO4S/c1-2-24-17(21)16(10-12-6-4-3-5-7-12)20-25(22,23)13-8-9-14(18)15(19)11-13/h3-9,11,16,20H,2,10H2,1H3
InChIKeyYGWUVWGWYDHBDN-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.45
Rot. Bonds7

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

ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 3798120) has the molecular formula C17H17Cl2NO4S and a molecular weight of 402.30 g/mol. Its IUPAC name is ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID3798120
Molecular FormulaC17H17Cl2NO4S
Molecular Weight402.30 g/mol
Exact Mass401.03
IUPAC Nameethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO4S/c1-2-24-17(21)16(10-12-6-4-3-5-7-12)20-25(22,23)13-8-9-14(18)15(19)11-13/h3-9,11,16,20H,2,10H2,1H3
InChIKeyYGWUVWGWYDHBDN-UHFFFAOYSA-N
XLogP3.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5013903
ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5004126
2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 43827519
(3R)-3-[(3,4-dichlorophenyl)sulfonylamino]-4-ethoxy-4-oxobutanoic acid
CID 154155939
ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
CID 7112317
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3673321
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30166041
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 94863226
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate
CID 3406154
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 30143159
N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3335018

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate (CID 3798120) is ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is YGWUVWGWYDHBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO4S/c1-2-24-17(21)16(10-12-6-4-3-5-7-12)20-25(22,23)13-8-9-14(18)15(19)11-13/h3-9,11,16,20H,2,10H2,1H3.
What are the key properties of ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate?
ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate has a molecular weight of 402.30 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 3798120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).