ethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate

C13H18ClNO5S — CID 68872377

IUPACethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate
SMILESCCOC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1OCC
InChIInChI=1S/C13H18ClNO5S/c1-5-19-11-8-10(14)12(21(17,18)15(3)4)7-9(11)13(16)20-6-2/h7-8H,5-6H2,1-4H3
InChIKeyDLNQJQGDNQKTMG-UHFFFAOYSA-N
MW335.81 g/mol
LogP2.17
Rot. Bonds6

About ethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate

ethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate (PubChem CID 68872377) has the molecular formula C13H18ClNO5S and a molecular weight of 335.81 g/mol. Its IUPAC name is ethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate.

Molecular Properties

Compound Nameethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate
PubChem CID68872377
Molecular FormulaC13H18ClNO5S
Molecular Weight335.81 g/mol
Exact Mass335.06
IUPAC Nameethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate
SMILESCCOC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1OCC
InChIInChI=1S/C13H18ClNO5S/c1-5-19-11-8-10(14)12(21(17,18)15(3)4)7-9(11)13(16)20-6-2/h7-8H,5-6H2,1-4H3
InChIKeyDLNQJQGDNQKTMG-UHFFFAOYSA-N
XLogP2.17
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-chloro-2,4-diethoxybenzoate
CID 82551541
ethyl 4-chloro-5-cyano-2-ethoxybenzoate
CID 68871558
ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate
CID 67245813
2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 977911
2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2648928
methyl 4-chloro-5-(dimethylsulfamoyl)-2-propan-2-ylbenzoate
CID 22101471
ethyl 3-(dimethylsulfamoyl)-4,5-dimethylbenzoate
CID 86921528
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
2-ethoxy-N,N,4-trimethylbenzenesulfonamide
CID 91758576
ethyl 2-chloro-4-[(2,5-dichlorophenyl)sulfonyl-methylamino]benzoate
CID 100509678
ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate
CID 69465529
ethyl 2-(4-chloro-2,5-diethoxyphenyl)-2-oxoacetate
CID 82551579

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate?
The IUPAC name of ethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate (CID 68872377) is ethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate.
What is the SMILES notation for ethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate?
The canonical SMILES for ethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate is CCOC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1OCC.
What is the InChIKey of ethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate?
The InChIKey is DLNQJQGDNQKTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO5S/c1-5-19-11-8-10(14)12(21(17,18)15(3)4)7-9(11)13(16)20-6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of ethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate?
ethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate has a molecular weight of 335.81 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate is sourced from PubChem (CID 68872377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).