ethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate

C18H19ClN2O5S — CID 46778786

IUPACethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)ccc1Cl
InChIInChI=1S/C18H19ClN2O5S/c1-4-26-18(23)15-11-13(7-10-16(15)19)20-17(22)12-5-8-14(9-6-12)21(2)27(3,24)25/h5-11H,4H2,1-3H3,(H,20,22)
InChIKeyFTMHVMYZWGWEID-UHFFFAOYSA-N
MW410.88 g/mol
LogP3.16
Rot. Bonds6

About ethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate

ethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate (PubChem CID 46778786) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is ethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate
PubChem CID46778786
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Nameethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)ccc1Cl
InChIInChI=1S/C18H19ClN2O5S/c1-4-26-18(23)15-11-13(7-10-16(15)19)20-17(22)12-5-8-14(9-6-12)21(2)27(3,24)25/h5-11H,4H2,1-3H3,(H,20,22)
InChIKeyFTMHVMYZWGWEID-UHFFFAOYSA-N
XLogP3.16
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-chloro-5-[[4-[(4-methylphenyl)methyl-methylsulfonylamino]benzoyl]amino]benzoate
CID 92681248
ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate
CID 28573562
ethyl 2-chloro-5-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 28635600
ethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 92672233
ethyl 2-chloro-5-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzoate
CID 43908588
ethyl 2-chloro-5-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]benzoate
CID 92675030
ethyl 2-chloro-4-[[4-[(3-methyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate
CID 46778522
ethyl 2-chloro-5-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 99952351
ethyl 2-chloro-5-[[(2S)-2-(4-chloro-N-methylsulfonylanilino)butanoyl]amino]benzoate
CID 92674559
ethyl 2-chloro-5-[4-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]benzoate
CID 92684926
4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 1006597
ethyl 2-chloro-5-[[2-(3,4-difluoro-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 46764450

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate?
The IUPAC name of ethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate (CID 46778786) is ethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate?
The canonical SMILES for ethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate is CCOC(=O)c1cc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)ccc1Cl.
What is the InChIKey of ethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate?
The InChIKey is FTMHVMYZWGWEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-4-26-18(23)15-11-13(7-10-16(15)19)20-17(22)12-5-8-14(9-6-12)21(2)27(3,24)25/h5-11H,4H2,1-3H3,(H,20,22).
What are the key properties of ethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate?
ethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate has a molecular weight of 410.88 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate is sourced from PubChem (CID 46778786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).