(2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate

C16H16N2O5S — CID 2511957

IUPAC(2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(N)=O)cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-11-2-6-13(7-3-11)18-24(21,22)14-8-4-12(5-9-14)16(20)23-10-15(17)19/h2-9,18H,10H2,1H3,(H2,17,19)
InChIKeyAIDNUBFTJRLVQR-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.44
Rot. Bonds6

About (2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate

(2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate (PubChem CID 2511957) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate
PubChem CID2511957
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name(2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(N)=O)cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-11-2-6-13(7-3-11)18-24(21,22)14-8-4-12(5-9-14)16(20)23-10-15(17)19/h2-9,18H,10H2,1H3,(H2,17,19)
InChIKeyAIDNUBFTJRLVQR-UHFFFAOYSA-N
XLogP1.44
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 46675318
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511770
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511945
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 16595727
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511993
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 2512361
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 42967803
(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate
CID 7828149
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of (2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate (CID 2511957) is (2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(N)=O)cc2)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate?
The InChIKey is AIDNUBFTJRLVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-11-2-6-13(7-3-11)18-24(21,22)14-8-4-12(5-9-14)16(20)23-10-15(17)19/h2-9,18H,10H2,1H3,(H2,17,19).
What are the key properties of (2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate?
(2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate has a molecular weight of 348.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2511957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).