[2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate

C19H21ClN2O5S — CID 2557633

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-3-22(4-2)28(25,26)15-11-9-14(10-12-15)19(24)27-13-18(23)21-17-8-6-5-7-16(17)20/h5-12H,3-4,13H2,1-2H3,(H,21,23)
InChIKeyYSZHLCZDMQELTK-UHFFFAOYSA-N
MW424.91 g/mol
LogP3.17
Rot. Bonds8

About [2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate

[2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (PubChem CID 2557633) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
PubChem CID2557633
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-3-22(4-2)28(25,26)15-11-9-14(10-12-15)19(24)27-13-18(23)21-17-8-6-5-7-16(17)20/h5-12H,3-4,13H2,1-2H3,(H,21,23)
InChIKeyYSZHLCZDMQELTK-UHFFFAOYSA-N
XLogP3.17
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557443
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557649
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603661
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654
[2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2364687
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2373388
[2-(2-chloroanilino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7753167
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557746
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 7044367
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-methylbenzoate
CID 7971596
[2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7448392

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (CID 2557633) is [2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The InChIKey is YSZHLCZDMQELTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-3-22(4-2)28(25,26)15-11-9-14(10-12-15)19(24)27-13-18(23)21-17-8-6-5-7-16(17)20/h5-12H,3-4,13H2,1-2H3,(H,21,23).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
[2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate has a molecular weight of 424.91 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 2557633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).