(1-oxo-1-phenyl-2-sulfamoylpropan-2-yl) benzoate

C16H15NO5S — CID 174298365

IUPAC(1-oxo-1-phenyl-2-sulfamoylpropan-2-yl) benzoate
SMILESCC(OC(=O)c1ccccc1)(C(=O)c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C16H15NO5S/c1-16(23(17,20)21,14(18)12-8-4-2-5-9-12)22-15(19)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,20,21)
InChIKeyMTPZKOBVLXDGKK-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.73
Rot. Bonds5

About (1-oxo-1-phenyl-2-sulfamoylpropan-2-yl) benzoate

(1-oxo-1-phenyl-2-sulfamoylpropan-2-yl) benzoate (PubChem CID 174298365) has the molecular formula C16H15NO5S and a molecular weight of 333.37 g/mol. Its IUPAC name is (1-oxo-1-phenyl-2-sulfamoylpropan-2-yl) benzoate.

Molecular Properties

Compound Name(1-oxo-1-phenyl-2-sulfamoylpropan-2-yl) benzoate
PubChem CID174298365
Molecular FormulaC16H15NO5S
Molecular Weight333.37 g/mol
Exact Mass333.07
IUPAC Name(1-oxo-1-phenyl-2-sulfamoylpropan-2-yl) benzoate
SMILESCC(OC(=O)c1ccccc1)(C(=O)c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C16H15NO5S/c1-16(23(17,20)21,14(18)12-8-4-2-5-9-12)22-15(19)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,20,21)
InChIKeyMTPZKOBVLXDGKK-UHFFFAOYSA-N
XLogP1.73
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-oxo-1-phenyl-2-sulfamoylpropan-2-yl) benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 162139404
CID 162139404
[1-[2-(2-benzoyloxy-2-methylpropanoyl)oxyphenoxy]-2-methyl-1-oxopropan-2-yl] benzoate
CID 141424460
(2-benzoyloxy-2,3,3-trimethylbutyl) benzoate
CID 23126013
2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one
CID 12576841
(3-oxo-2-phenylbutan-2-yl) benzoate
CID 102265108
(3,4-dibenzoyloxy-3-methylpentan-2-yl) benzoate
CID 21302045
2-methylpentan-2-yl benzoate;hydrate
CID 162320835
tert-butyl 2-phenylprop-2-enoate;carbamic acid
CID 174820480
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
(2-benzoyloxy-2,3-dimethylbut-3-enyl) benzoate
CID 132942247
(2-benzoyloxy-2-methylpropyl) benzoate;2-methylpropane-1,2-diol
CID 157479267

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenyl-2-sulfamoylpropan-2-yl) benzoate?
The IUPAC name of (1-oxo-1-phenyl-2-sulfamoylpropan-2-yl) benzoate (CID 174298365) is (1-oxo-1-phenyl-2-sulfamoylpropan-2-yl) benzoate.
What is the SMILES notation for (1-oxo-1-phenyl-2-sulfamoylpropan-2-yl) benzoate?
The canonical SMILES for (1-oxo-1-phenyl-2-sulfamoylpropan-2-yl) benzoate is CC(OC(=O)c1ccccc1)(C(=O)c1ccccc1)S(N)(=O)=O.
What is the InChIKey of (1-oxo-1-phenyl-2-sulfamoylpropan-2-yl) benzoate?
The InChIKey is MTPZKOBVLXDGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5S/c1-16(23(17,20)21,14(18)12-8-4-2-5-9-12)22-15(19)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,20,21).
What are the key properties of (1-oxo-1-phenyl-2-sulfamoylpropan-2-yl) benzoate?
(1-oxo-1-phenyl-2-sulfamoylpropan-2-yl) benzoate has a molecular weight of 333.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenyl-2-sulfamoylpropan-2-yl) benzoate is sourced from PubChem (CID 174298365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).