(2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate

C16H15ClN2O5S — CID 7823722

IUPAC(2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C16H15ClN2O5S/c1-18-25(22,23)14-9-11(7-8-13(14)17)16(21)24-10-15(20)19-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyYAERSEWCJSPFTH-UHFFFAOYSA-N
MW382.83 g/mol
LogP2.04
Rot. Bonds6

About (2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate

(2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate (PubChem CID 7823722) has the molecular formula C16H15ClN2O5S and a molecular weight of 382.83 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate
PubChem CID7823722
Molecular FormulaC16H15ClN2O5S
Molecular Weight382.83 g/mol
Exact Mass382.04
IUPAC Name(2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C16H15ClN2O5S/c1-18-25(22,23)14-9-11(7-8-13(14)17)16(21)24-10-15(20)19-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyYAERSEWCJSPFTH-UHFFFAOYSA-N
XLogP2.04
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823723
[2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823641
phenacyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823753
[2-(2-acetylanilino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 30104288
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823611
[2-(4-hydroxyanilino)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 27908389
2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 27027293
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 16600981
[(2R)-1-anilino-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823667
[2-(3-chloroanilino)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510805
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823627
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823745

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate (CID 7823722) is (2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2)ccc1Cl.
What is the InChIKey of (2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate?
The InChIKey is YAERSEWCJSPFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5S/c1-18-25(22,23)14-9-11(7-8-13(14)17)16(21)24-10-15(20)19-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,19,20).
What are the key properties of (2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate?
(2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate has a molecular weight of 382.83 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 7823722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).