ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate

C24H23ClN2O5S — CID 92685301

IUPACethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1C
InChIInChI=1S/C24H23ClN2O5S/c1-4-32-24(29)19-6-5-7-22(16(19)3)26-23(28)20-14-17(10-13-21(20)25)27-33(30,31)18-11-8-15(2)9-12-18/h5-14,27H,4H2,1-3H3,(H,26,28)
InChIKeyBTMVYLCBLYZEJX-UHFFFAOYSA-N
MW486.98 g/mol
LogP5.19
Rot. Bonds7

About ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate

ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate (PubChem CID 92685301) has the molecular formula C24H23ClN2O5S and a molecular weight of 486.98 g/mol. Its IUPAC name is ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate.

Molecular Properties

Compound Nameethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate
PubChem CID92685301
Molecular FormulaC24H23ClN2O5S
Molecular Weight486.98 g/mol
Exact Mass486.10
IUPAC Nameethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1C
InChIInChI=1S/C24H23ClN2O5S/c1-4-32-24(29)19-6-5-7-22(16(19)3)26-23(28)20-14-17(10-13-21(20)25)27-33(30,31)18-11-8-15(2)9-12-18/h5-14,27H,4H2,1-3H3,(H,26,28)
InChIKeyBTMVYLCBLYZEJX-UHFFFAOYSA-N
XLogP5.19
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.98
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 28572809
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
methyl 4-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 92681606
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517
2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356310
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062466
N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 9413988
ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate
CID 28573562
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 9414091
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
2-chloro-N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772238

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate?
The IUPAC name of ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate (CID 92685301) is ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate.
What is the SMILES notation for ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate?
The canonical SMILES for ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate is CCOC(=O)c1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1C.
What is the InChIKey of ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate?
The InChIKey is BTMVYLCBLYZEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O5S/c1-4-32-24(29)19-6-5-7-22(16(19)3)26-23(28)20-14-17(10-13-21(20)25)27-33(30,31)18-11-8-15(2)9-12-18/h5-14,27H,4H2,1-3H3,(H,26,28).
What are the key properties of ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate?
ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate has a molecular weight of 486.98 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate is sourced from PubChem (CID 92685301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).