methyl 3-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-4-chlorobenzoate

C23H21ClN2O6S — CID 2204722

IUPACmethyl 3-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H21ClN2O6S/c1-31-18-11-9-17(10-12-18)26(33(29,30)19-6-4-3-5-7-19)15-22(27)25-21-14-16(23(28)32-2)8-13-20(21)24/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyFWVJQLFMCOYBAN-UHFFFAOYSA-N
MW488.95 g/mol
LogP3.97
Rot. Bonds8

About methyl 3-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-4-chlorobenzoate

methyl 3-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-4-chlorobenzoate (PubChem CID 2204722) has the molecular formula C23H21ClN2O6S and a molecular weight of 488.95 g/mol. Its IUPAC name is methyl 3-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-4-chlorobenzoate
PubChem CID2204722
Molecular FormulaC23H21ClN2O6S
Molecular Weight488.95 g/mol
Exact Mass488.08
IUPAC Namemethyl 3-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H21ClN2O6S/c1-31-18-11-9-17(10-12-18)26(33(29,30)19-6-4-3-5-7-19)15-22(27)25-21-14-16(23(28)32-2)8-13-20(21)24/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyFWVJQLFMCOYBAN-UHFFFAOYSA-N
XLogP3.97
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.95
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-4-chlorobenzoate with MolForge

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Related Compounds

3-[Benzyl(4-methoxyphenyl)sulfamoyl]-4-chlorobenzoic acid
CID 2440131
Methyl 4-[({4-[(5-chloro-2-methoxyphenyl)sulfonyl]piperazin-1-yl}acetyl)amino]benzoate
CID 3241572
N-(3-chlorophenyl)-4-({[(3-methoxyphenyl)sulfonyl]amino}methyl)benzamide
CID 984406
2-[(4-Acetylamino-benzenesulfonyl)-(4-methoxy-phenyl)-amino]-N-(3-acetyl-phenyl)-acetamide
CID 1105743
N-(3-acetylphenyl)-N~2~-[(3-chloro-4-methoxyphenyl)sulfonyl]-N~2~-methylglycinamide
CID 1243303
methyl 2-chloro-5-{[N-(2-methoxyphenyl)-N-(phenylsulfonyl)glycyl]amino}benzoate
CID 1295791
methyl 4-chloro-3-({N-[(4-methoxyphenyl)sulfonyl]-N-phenylglycyl}amino)benzoate
CID 1297421
N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1317599
methyl 2-({N-(4-chlorophenyl)-N-[(4-methoxyphenyl)sulfonyl]glycyl}amino)benzoate
CID 1319935
2-chloro-N-(3-cyanophenyl)-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 2084185
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 2447527
(4-Chloro-3-pyrrolidin-1-ylsulfonylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 2496304

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-4-chlorobenzoate?
The IUPAC name of methyl 3-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-4-chlorobenzoate (CID 2204722) is methyl 3-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-4-chlorobenzoate.
What is the SMILES notation for methyl 3-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-4-chlorobenzoate?
The canonical SMILES for methyl 3-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-4-chlorobenzoate is COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of methyl 3-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-4-chlorobenzoate?
The InChIKey is FWVJQLFMCOYBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O6S/c1-31-18-11-9-17(10-12-18)26(33(29,30)19-6-4-3-5-7-19)15-22(27)25-21-14-16(23(28)32-2)8-13-20(21)24/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of methyl 3-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-4-chlorobenzoate?
methyl 3-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-4-chlorobenzoate has a molecular weight of 488.95 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-4-chlorobenzoate is sourced from PubChem (CID 2204722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).