ethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate

C17H17ClN2O5S — CID 113000819

IUPACethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O5S/c1-2-25-17(22)12-6-8-14(9-7-12)20-16(21)11-19-26(23,24)15-5-3-4-13(18)10-15/h3-10,19H,2,11H2,1H3,(H,20,21)
InChIKeyDPOWAMQYIOXZOQ-UHFFFAOYSA-N
MW396.85 g/mol
LogP2.43
Rot. Bonds7

About ethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate

ethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate (PubChem CID 113000819) has the molecular formula C17H17ClN2O5S and a molecular weight of 396.85 g/mol. Its IUPAC name is ethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate
PubChem CID113000819
Molecular FormulaC17H17ClN2O5S
Molecular Weight396.85 g/mol
Exact Mass396.05
IUPAC Nameethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O5S/c1-2-25-17(22)12-6-8-14(9-7-12)20-16(21)11-19-26(23,24)15-5-3-4-13(18)10-15/h3-10,19H,2,11H2,1H3,(H,20,21)
InChIKeyDPOWAMQYIOXZOQ-UHFFFAOYSA-N
XLogP2.43
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[(3-chlorophenyl)sulfonylamino]acetamide
CID 112999785
methyl 4-[[2-[(3-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 112999985
4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
CID 26636174
N-(4-chloro-2-methylphenyl)-2-[(3-chlorophenyl)sulfonylamino]acetamide
CID 112998154
ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate
CID 109011040
ethyl 4-[[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108952593
ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
CID 9342016
N-(4-acetylphenyl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 112999628
methyl 3-[(3-chlorophenyl)sulfonylamino]-2-iodopropanoate
CID 103493655
3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55869859
ethyl (E)-3-[4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]prop-2-enoate
CID 55462439
ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate
CID 109009936

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate (CID 113000819) is ethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of ethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate?
The InChIKey is DPOWAMQYIOXZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5S/c1-2-25-17(22)12-6-8-14(9-7-12)20-16(21)11-19-26(23,24)15-5-3-4-13(18)10-15/h3-10,19H,2,11H2,1H3,(H,20,21).
What are the key properties of ethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate?
ethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate has a molecular weight of 396.85 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate is sourced from PubChem (CID 113000819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).