ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate

C22H19ClN2O5S — CID 28573562

IUPACethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C22H19ClN2O5S/c1-2-30-22(27)19-14-17(12-13-20(19)23)24-21(26)15-8-10-16(11-9-15)25-31(28,29)18-6-4-3-5-7-18/h3-14,25H,2H2,1H3,(H,24,26)
InChIKeyWDOAXXOBORHGBB-UHFFFAOYSA-N
MW458.92 g/mol
LogP4.57
Rot. Bonds7

About ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate

ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate (PubChem CID 28573562) has the molecular formula C22H19ClN2O5S and a molecular weight of 458.92 g/mol. Its IUPAC name is ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate.

Molecular Properties

Compound Nameethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate
PubChem CID28573562
Molecular FormulaC22H19ClN2O5S
Molecular Weight458.92 g/mol
Exact Mass458.07
IUPAC Nameethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C22H19ClN2O5S/c1-2-30-22(27)19-14-17(12-13-20(19)23)24-21(26)15-8-10-16(11-9-15)25-31(28,29)18-6-4-3-5-7-18/h3-14,25H,2H2,1H3,(H,24,26)
InChIKeyWDOAXXOBORHGBB-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

ethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 92672233
4-(benzenesulfonamido)-N-(3,4-diethoxyphenyl)benzamide
CID 43009389
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
ethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate
CID 46778786
N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide
CID 55981241
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723
5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide
CID 36525734
ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 121043595
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55706019
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
ethyl 2-chloro-5-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzoate
CID 43908588

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate?
The IUPAC name of ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate (CID 28573562) is ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate.
What is the SMILES notation for ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate?
The canonical SMILES for ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate is CCOC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1Cl.
What is the InChIKey of ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate?
The InChIKey is WDOAXXOBORHGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O5S/c1-2-30-22(27)19-14-17(12-13-20(19)23)24-21(26)15-8-10-16(11-9-15)25-31(28,29)18-6-4-3-5-7-18/h3-14,25H,2H2,1H3,(H,24,26).
What are the key properties of ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate?
ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-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 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate is sourced from PubChem (CID 28573562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).