[2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate

C19H20ClNO5S — CID 7823612

IUPAC[2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate
SMILESCCCc1ccc(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)NC)c2)cc1
InChIInChI=1S/C19H20ClNO5S/c1-3-4-13-5-7-14(8-6-13)17(22)12-26-19(23)15-9-10-16(20)18(11-15)27(24,25)21-2/h5-11,21H,3-4,12H2,1-2H3
InChIKeyCVSRHDNVZAJPBH-UHFFFAOYSA-N
MW409.89 g/mol
LogP3.24
Rot. Bonds8

About [2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate

[2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate (PubChem CID 7823612) has the molecular formula C19H20ClNO5S and a molecular weight of 409.89 g/mol. Its IUPAC name is [2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate
PubChem CID7823612
Molecular FormulaC19H20ClNO5S
Molecular Weight409.89 g/mol
Exact Mass409.08
IUPAC Name[2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate
SMILESCCCc1ccc(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)NC)c2)cc1
InChIInChI=1S/C19H20ClNO5S/c1-3-4-13-5-7-14(8-6-13)17(22)12-26-19(23)15-9-10-16(20)18(11-15)27(24,25)21-2/h5-11,21H,3-4,12H2,1-2H3
InChIKeyCVSRHDNVZAJPBH-UHFFFAOYSA-N
XLogP3.24
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.89
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenacyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823753
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823745
[2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823641
2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 27027293
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823626
[2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 9332349
[2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-nitrobenzoate
CID 7764857
cyanomethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 9331722
(2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823722
[2-(4-fluoroanilino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823723
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 8884838
[2-(4-chlorophenyl)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510708

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate (CID 7823612) is [2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate is CCCc1ccc(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)NC)c2)cc1.
What is the InChIKey of [2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate?
The InChIKey is CVSRHDNVZAJPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5S/c1-3-4-13-5-7-14(8-6-13)17(22)12-26-19(23)15-9-10-16(20)18(11-15)27(24,25)21-2/h5-11,21H,3-4,12H2,1-2H3.
What are the key properties of [2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate?
[2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate has a molecular weight of 409.89 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 7823612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).