methyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate

C22H19ClN2O5S — CID 42276717

IUPACmethyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccccc2)cc(NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C22H19ClN2O5S/c1-30-22(27)17-11-15(14-24-21(26)16-7-3-2-4-8-16)12-18(13-17)25-31(28,29)20-10-6-5-9-19(20)23/h2-13,25H,14H2,1H3,(H,24,26)
InChIKeyLWFGMZKWMBDSGM-UHFFFAOYSA-N
MW458.92 g/mol
LogP3.86
Rot. Bonds7

About methyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate

methyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate (PubChem CID 42276717) has the molecular formula C22H19ClN2O5S and a molecular weight of 458.92 g/mol. Its IUPAC name is methyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate
PubChem CID42276717
Molecular FormulaC22H19ClN2O5S
Molecular Weight458.92 g/mol
Exact Mass458.07
IUPAC Namemethyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccccc2)cc(NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C22H19ClN2O5S/c1-30-22(27)17-11-15(14-24-21(26)16-7-3-2-4-8-16)12-18(13-17)25-31(28,29)20-10-6-5-9-19(20)23/h2-13,25H,14H2,1H3,(H,24,26)
InChIKeyLWFGMZKWMBDSGM-UHFFFAOYSA-N
XLogP3.86
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[(2-methylbenzoyl)amino]methyl]-5-(quinolin-8-ylsulfonylamino)benzoate
CID 42472630
dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate
CID 4685658
4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide
CID 126414386
methyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate
CID 42247339
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide
CID 30858884
4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 55349910
methyl 3-[(butanoylamino)methyl]-5-(thiophen-2-ylsulfonylamino)benzoate
CID 118755819
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[[(2-methylbenzoyl)amino]methyl]benzoate
CID 42163049
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate
CID 42406364
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(furan-3-carbonylamino)methyl]benzoate
CID 42431853
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92671439

Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate (CID 42276717) is methyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate is COC(=O)c1cc(CNC(=O)c2ccccc2)cc(NS(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of methyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate?
The InChIKey is LWFGMZKWMBDSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O5S/c1-30-22(27)17-11-15(14-24-21(26)16-7-3-2-4-8-16)12-18(13-17)25-31(28,29)20-10-6-5-9-19(20)23/h2-13,25H,14H2,1H3,(H,24,26).
What are the key properties of methyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate?
methyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate has a molecular weight of 458.92 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 42276717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).