ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate

C21H23ClN2O6S — CID 46778632

IUPACethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c(Cl)c1
InChIInChI=1S/C21H23ClN2O6S/c1-2-30-21(26)17-7-8-19(18(22)13-17)23-20(25)16-5-3-15(4-6-16)14-31(27,28)24-9-11-29-12-10-24/h3-8,13H,2,9-12,14H2,1H3,(H,23,25)
InChIKeyQKFOTKBZWHTAQP-UHFFFAOYSA-N
MW466.94 g/mol
LogP2.93
Rot. Bonds7

About ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate

ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate (PubChem CID 46778632) has the molecular formula C21H23ClN2O6S and a molecular weight of 466.94 g/mol. Its IUPAC name is ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
PubChem CID46778632
Molecular FormulaC21H23ClN2O6S
Molecular Weight466.94 g/mol
Exact Mass466.10
IUPAC Nameethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c(Cl)c1
InChIInChI=1S/C21H23ClN2O6S/c1-2-30-21(26)17-7-8-19(18(22)13-17)23-20(25)16-5-3-15(4-6-16)14-31(27,28)24-9-11-29-12-10-24/h3-8,13H,2,9-12,14H2,1H3,(H,23,25)
InChIKeyQKFOTKBZWHTAQP-UHFFFAOYSA-N
XLogP2.93
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.94
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28575201
N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99955558
dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate
CID 28580238
methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92672400
methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92676862
ethyl 4-benzamido-3-chlorobenzoate
CID 28634288
N-(2,4-dimethoxyphenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99951275
methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28631351
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
ethyl 3-chloro-4-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]benzoate
CID 30396105
ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate
CID 92680844
N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584228

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate (CID 46778632) is ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c(Cl)c1.
What is the InChIKey of ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
The InChIKey is QKFOTKBZWHTAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O6S/c1-2-30-21(26)17-7-8-19(18(22)13-17)23-20(25)16-5-3-15(4-6-16)14-31(27,28)24-9-11-29-12-10-24/h3-8,13H,2,9-12,14H2,1H3,(H,23,25).
What are the key properties of ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate has a molecular weight of 466.94 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 46778632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).