[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate

C19H20Cl2N2O5S — CID 2488667

IUPAC[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O5S/c1-3-23(4-2)29(26,27)15-8-6-14(7-9-15)22-18(24)12-28-19(25)16-11-13(20)5-10-17(16)21/h5-11H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyKKVLNVMUWIJEJC-UHFFFAOYSA-N
MW459.35 g/mol
LogP3.82
Rot. Bonds8

About [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate

[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate (PubChem CID 2488667) has the molecular formula C19H20Cl2N2O5S and a molecular weight of 459.35 g/mol. Its IUPAC name is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate
PubChem CID2488667
Molecular FormulaC19H20Cl2N2O5S
Molecular Weight459.35 g/mol
Exact Mass458.05
IUPAC Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O5S/c1-3-23(4-2)29(26,27)15-8-6-14(7-9-15)22-18(24)12-28-19(25)16-11-13(20)5-10-17(16)21/h5-11H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyKKVLNVMUWIJEJC-UHFFFAOYSA-N
XLogP3.82
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510257
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2631379
[2-(4-ethoxyanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510318
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2465525
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519907
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-bromobenzoate
CID 2624031
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 41091065
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510081
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578282
[2-(4-methylsulfonylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 41174699
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524372

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate?
The IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate (CID 2488667) is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate.
What is the SMILES notation for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate?
The canonical SMILES for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate is CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate?
The InChIKey is KKVLNVMUWIJEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O5S/c1-3-23(4-2)29(26,27)15-8-6-14(7-9-15)22-18(24)12-28-19(25)16-11-13(20)5-10-17(16)21/h5-11H,3-4,12H2,1-2H3,(H,22,24).
What are the key properties of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate?
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate has a molecular weight of 459.35 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate is sourced from PubChem (CID 2488667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).