(2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate

C21H16ClNO5S — CID 42985828

IUPAC(2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H16ClNO5S/c22-18-12-11-16(29(23,26)27)13-17(18)21(25)28-20(15-9-5-2-6-10-15)19(24)14-7-3-1-4-8-14/h1-13,20H,(H2,23,26,27)
InChIKeyLPWHEIHBYRSHCT-UHFFFAOYSA-N
MW429.88 g/mol
LogP3.77
Rot. Bonds6

About (2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate

(2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate (PubChem CID 42985828) has the molecular formula C21H16ClNO5S and a molecular weight of 429.88 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate
PubChem CID42985828
Molecular FormulaC21H16ClNO5S
Molecular Weight429.88 g/mol
Exact Mass429.04
IUPAC Name(2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H16ClNO5S/c22-18-12-11-16(29(23,26)27)13-17(18)21(25)28-20(15-9-5-2-6-10-15)19(24)14-7-3-1-4-8-14/h1-13,20H,(H2,23,26,27)
InChIKeyLPWHEIHBYRSHCT-UHFFFAOYSA-N
XLogP3.77
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.88
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate 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

[1,2-bis(4-methylphenyl)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 42985997
[(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 51530614
[1,2-bis(4-methylphenyl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518348
(1-amino-1-oxopropan-2-yl) 2-chloro-5-sulfamoylbenzoate
CID 22108582
(2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate
CID 55427927
(2-oxo-1,2-diphenylethyl) 2-chloro-4-nitrobenzoate
CID 2936140
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 7993963
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-fluoro-5-sulfamoylbenzoate
CID 8638579
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 16517612
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 16517587
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 8600721

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate (CID 42985828) is (2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate is NS(=O)(=O)c1ccc(Cl)c(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate?
The InChIKey is LPWHEIHBYRSHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO5S/c22-18-12-11-16(29(23,26)27)13-17(18)21(25)28-20(15-9-5-2-6-10-15)19(24)14-7-3-1-4-8-14/h1-13,20H,(H2,23,26,27).
What are the key properties of (2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate?
(2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate has a molecular weight of 429.88 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate is sourced from PubChem (CID 42985828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).