[2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate

C15H21ClN2O5S — CID 9332349

IUPAC[2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
SMILESCCCCN(C)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1
InChIInChI=1S/C15H21ClN2O5S/c1-4-5-8-18(3)14(19)10-23-15(20)11-6-7-12(16)13(9-11)24(21,22)17-2/h6-7,9,17H,4-5,8,10H2,1-3H3
InChIKeyHNIODCFPDXCLDI-UHFFFAOYSA-N
MW376.86 g/mol
LogP1.66
Rot. Bonds8

About [2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate

[2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate (PubChem CID 9332349) has the molecular formula C15H21ClN2O5S and a molecular weight of 376.86 g/mol. Its IUPAC name is [2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
PubChem CID9332349
Molecular FormulaC15H21ClN2O5S
Molecular Weight376.86 g/mol
Exact Mass376.09
IUPAC Name[2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
SMILESCCCCN(C)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1
InChIInChI=1S/C15H21ClN2O5S/c1-4-5-8-18(3)14(19)10-23-15(20)11-6-7-12(16)13(9-11)24(21,22)17-2/h6-7,9,17H,4-5,8,10H2,1-3H3
InChIKeyHNIODCFPDXCLDI-UHFFFAOYSA-N
XLogP1.66
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823635
[2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823641
2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 27027293
[2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823612
phenacyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823753
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823745
cyanomethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 9331722
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823626
(2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823722
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(tert-butylsulfamoyl)-4-chlorobenzoate
CID 42979612
[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

Frequently Asked Questions

What is the IUPAC name of [2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate?
The IUPAC name of [2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate (CID 9332349) is [2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate is CCCCN(C)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1.
What is the InChIKey of [2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate?
The InChIKey is HNIODCFPDXCLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O5S/c1-4-5-8-18(3)14(19)10-23-15(20)11-6-7-12(16)13(9-11)24(21,22)17-2/h6-7,9,17H,4-5,8,10H2,1-3H3.
What are the key properties of [2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate?
[2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate has a molecular weight of 376.86 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 9332349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).