ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate

C18H19ClN2O5S — CID 100625550

IUPACethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1Cl
InChIInChI=1S/C18H19ClN2O5S/c1-4-26-18(23)15-9-8-13(11-16(15)19)20-17(22)12-6-5-7-14(10-12)27(24,25)21(2)3/h5-11H,4H2,1-3H3,(H,20,22)
InChIKeyHBYRKMMCWXJYCY-UHFFFAOYSA-N
MW410.88 g/mol
LogP3.02
Rot. Bonds6

About ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate

ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate (PubChem CID 100625550) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate
PubChem CID100625550
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Nameethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1Cl
InChIInChI=1S/C18H19ClN2O5S/c1-4-26-18(23)15-9-8-13(11-16(15)19)20-17(22)12-6-5-7-14(10-12)27(24,25)21(2)3/h5-11H,4H2,1-3H3,(H,20,22)
InChIKeyHBYRKMMCWXJYCY-UHFFFAOYSA-N
XLogP3.02
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 55611308
ethyl 4-[[4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]benzoyl]amino]-2-chlorobenzoate
CID 46763339
ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate
CID 28631326
2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide
CID 55611031
ethyl 2-chloro-4-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzoate
CID 46764334
ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate
CID 92673889
ethyl 2-chloro-4-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 28575515
ethyl 2-chloro-4-[[4-[(3-methyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate
CID 46778522
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126
3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 4800647
ethyl 2-chloro-4-[[3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 46770634
N-(3-bromophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2221562

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate (CID 100625550) is ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1Cl.
What is the InChIKey of ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate?
The InChIKey is HBYRKMMCWXJYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-4-26-18(23)15-9-8-13(11-16(15)19)20-17(22)12-6-5-7-14(10-12)27(24,25)21(2)3/h5-11H,4H2,1-3H3,(H,20,22).
What are the key properties of ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate?
ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate has a molecular weight of 410.88 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 100625550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).