methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate

C22H19ClN2O5S — CID 21372616

IUPACmethyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H19ClN2O5S/c1-25(31(28,29)16-8-4-3-5-9-16)20-11-7-6-10-17(20)21(26)24-19-14-15(22(27)30-2)12-13-18(19)23/h3-14H,1-2H3,(H,24,26)
InChIKeyFIGBZRKJGUSGCR-UHFFFAOYSA-N
MW458.92 g/mol
LogP4.20
Rot. Bonds6

About methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate

methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate (PubChem CID 21372616) has the molecular formula C22H19ClN2O5S and a molecular weight of 458.92 g/mol. Its IUPAC name is methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate
PubChem CID21372616
Molecular FormulaC22H19ClN2O5S
Molecular Weight458.92 g/mol
Exact Mass458.07
IUPAC Namemethyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H19ClN2O5S/c1-25(31(28,29)16-8-4-3-5-9-16)20-11-7-6-10-17(20)21(26)24-19-14-15(22(27)30-2)12-13-18(19)23/h3-14H,1-2H3,(H,24,26)
InChIKeyFIGBZRKJGUSGCR-UHFFFAOYSA-N
XLogP4.20
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate with MolForge

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Related Compounds

methyl 4-chloro-3-[(2-methoxybenzoyl)amino]benzoate
CID 926199
2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide
CID 126272189
ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate
CID 1303909
N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide
CID 126346371
2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 1294778
methyl 4-chloro-3-(phenylcarbamoylamino)benzoate
CID 110423296
methyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate
CID 126271518
methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 92679714
methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate
CID 110861824
2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2207753
N-(2,5-dichlorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 42991866
methyl 3-[[2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4-methylbenzoate
CID 43880657

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate?
The IUPAC name of methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate (CID 21372616) is methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate.
What is the SMILES notation for methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate?
The canonical SMILES for methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate?
The InChIKey is FIGBZRKJGUSGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O5S/c1-25(31(28,29)16-8-4-3-5-9-16)20-11-7-6-10-17(20)21(26)24-19-14-15(22(27)30-2)12-13-18(19)23/h3-14H,1-2H3,(H,24,26).
What are the key properties of methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate?
methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate has a molecular weight of 458.92 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate is sourced from PubChem (CID 21372616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).