(2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate

C15H14N2O5S — CID 7249323

IUPAC(2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate
SMILESNC(=O)COC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H14N2O5S/c16-14(18)10-22-15(19)11-5-4-6-12(9-11)17-23(20,21)13-7-2-1-3-8-13/h1-9,17H,10H2,(H2,16,18)
InChIKeyRRTQUODYYILVEJ-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.13
Rot. Bonds6

About (2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate

(2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate (PubChem CID 7249323) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate
PubChem CID7249323
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name(2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate
SMILESNC(=O)COC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H14N2O5S/c16-14(18)10-22-15(19)11-5-4-6-12(9-11)17-23(20,21)13-7-2-1-3-8-13/h1-9,17H,10H2,(H2,16,18)
InChIKeyRRTQUODYYILVEJ-UHFFFAOYSA-N
XLogP1.13
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate
CID 7247748
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(benzenesulfonamido)benzoate
CID 7247756
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(benzenesulfonamido)benzoate
CID 7247757
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
2-(2-methylphenoxy)ethyl 3-(benzenesulfonamido)benzoate
CID 16565149
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(benzenesulfonamido)benzoate
CID 7247767
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)benzoate
CID 16519856
2-(3-methylphenoxy)ethyl 3-(benzenesulfonamido)benzoate
CID 7571434
(5-methyl-1,2-oxazol-3-yl)methyl 3-(benzenesulfonamido)benzoate
CID 8015603
ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 8823779
(2-amino-2-oxoethyl) 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 25046962
(2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511957

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate?
The IUPAC name of (2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate (CID 7249323) is (2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate is NC(=O)COC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of (2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate?
The InChIKey is RRTQUODYYILVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c16-14(18)10-22-15(19)11-5-4-6-12(9-11)17-23(20,21)13-7-2-1-3-8-13/h1-9,17H,10H2,(H2,16,18).
What are the key properties of (2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate?
(2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate has a molecular weight of 334.35 g/mol, XLogP of 1.13, 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) 3-(benzenesulfonamido)benzoate is sourced from PubChem (CID 7249323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).