ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate

C22H19ClN2O5S — CID 92679847

IUPACethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C22H19ClN2O5S/c1-2-30-22(27)15-12-13-20(18(23)14-15)24-21(26)17-10-6-7-11-19(17)25-31(28,29)16-8-4-3-5-9-16/h3-14,25H,2H2,1H3,(H,24,26)
InChIKeyATZHXCUKNPEJRT-UHFFFAOYSA-N
MW458.92 g/mol
LogP4.57
Rot. Bonds7

About ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate

ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate (PubChem CID 92679847) has the molecular formula C22H19ClN2O5S and a molecular weight of 458.92 g/mol. Its IUPAC name is ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate
PubChem CID92679847
Molecular FormulaC22H19ClN2O5S
Molecular Weight458.92 g/mol
Exact Mass458.07
IUPAC Nameethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C22H19ClN2O5S/c1-2-30-22(27)15-12-13-20(18(23)14-15)24-21(26)17-10-6-7-11-19(17)25-31(28,29)16-8-4-3-5-9-16/h3-14,25H,2H2,1H3,(H,24,26)
InChIKeyATZHXCUKNPEJRT-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonamido)-N-(2,4-dichlorophenyl)benzamide
CID 155547933
ethyl 4-benzamido-3-chlorobenzoate
CID 28634288
ethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate
CID 56630518
ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 121040693
ethyl 4-[[2-[2-(aminomethyl)phenyl]benzoyl]amino]-3-chlorobenzoate
CID 174413978
dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate
CID 92674919
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)sulfonylamino]benzamide
CID 158200671
ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 31754196
ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 15872311
ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 22646291
2-(benzenesulfonamido)-N-(5-chloro-2-methylphenyl)benzamide
CID 2977231
ethyl 2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1,3-benzothiazole-6-carboxylate
CID 5123894

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate?
The IUPAC name of ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate (CID 92679847) is ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate.
What is the SMILES notation for ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate?
The canonical SMILES for ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate is CCOC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c(Cl)c1.
What is the InChIKey of ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate?
The InChIKey is ATZHXCUKNPEJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O5S/c1-2-30-22(27)15-12-13-20(18(23)14-15)24-21(26)17-10-6-7-11-19(17)25-31(28,29)16-8-4-3-5-9-16/h3-14,25H,2H2,1H3,(H,24,26).
What are the key properties of ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate?
ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate has a molecular weight of 458.92 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate is sourced from PubChem (CID 92679847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).