ethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate

C19H21ClFN3O5S — CID 92677264

IUPACethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C19H21ClFN3O5S/c1-4-29-19(26)14-11-13(9-10-15(14)20)22-18(25)12-24(30(27,28)23(2)3)17-8-6-5-7-16(17)21/h5-11H,4,12H2,1-3H3,(H,22,25)
InChIKeyLFLPTSGHSGQOKL-UHFFFAOYSA-N
MW457.91 g/mol
LogP2.91
Rot. Bonds8

About ethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate

ethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate (PubChem CID 92677264) has the molecular formula C19H21ClFN3O5S and a molecular weight of 457.91 g/mol. Its IUPAC name is ethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate
PubChem CID92677264
Molecular FormulaC19H21ClFN3O5S
Molecular Weight457.91 g/mol
Exact Mass457.09
IUPAC Nameethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C19H21ClFN3O5S/c1-4-29-19(26)14-11-13(9-10-15(14)20)22-18(25)12-24(30(27,28)23(2)3)17-8-6-5-7-16(17)21/h5-11H,4,12H2,1-3H3,(H,22,25)
InChIKeyLFLPTSGHSGQOKL-UHFFFAOYSA-N
XLogP2.91
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 2-chloro-5-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzoate
CID 43908588
ethyl 3-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate
CID 46762996
ethyl 4-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate
CID 30304760
methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate
CID 2206174
N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 53283595
ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]amino]benzoate
CID 28575790
ethyl 2-chloro-4-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzoate
CID 46764334
ethyl 2-chloro-4-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 30275557
ethyl 5-[[2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]acetyl]amino]-2-chlorobenzoate
CID 30305179
ethyl 2-chloro-5-[[2-(3,4-difluoro-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 46764450
methyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]benzoate
CID 92663899
ethyl 5-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-2-chlorobenzoate
CID 43902060

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate (CID 92677264) is ethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate is CCOC(=O)c1cc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)ccc1Cl.
What is the InChIKey of ethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate?
The InChIKey is LFLPTSGHSGQOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O5S/c1-4-29-19(26)14-11-13(9-10-15(14)20)22-18(25)12-24(30(27,28)23(2)3)17-8-6-5-7-16(17)21/h5-11H,4,12H2,1-3H3,(H,22,25).
What are the key properties of ethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate?
ethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate has a molecular weight of 457.91 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate is sourced from PubChem (CID 92677264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).