(2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate

C23H20ClNO6S — CID 46825504

IUPAC(2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
SMILESCON(C)S(=O)(=O)c1cc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)ccc1Cl
InChIInChI=1S/C23H20ClNO6S/c1-25(30-2)32(28,29)20-15-18(13-14-19(20)24)23(27)31-22(17-11-7-4-8-12-17)21(26)16-9-5-3-6-10-16/h3-15,22H,1-2H3
InChIKeyWQCKLLUWRCQBQM-UHFFFAOYSA-N
MW473.93 g/mol
LogP4.30
Rot. Bonds8

About (2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate

(2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate (PubChem CID 46825504) has the molecular formula C23H20ClNO6S and a molecular weight of 473.93 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
PubChem CID46825504
Molecular FormulaC23H20ClNO6S
Molecular Weight473.93 g/mol
Exact Mass473.07
IUPAC Name(2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
SMILESCON(C)S(=O)(=O)c1cc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)ccc1Cl
InChIInChI=1S/C23H20ClNO6S/c1-25(30-2)32(28,29)20-15-18(13-14-19(20)24)23(27)31-22(17-11-7-4-8-12-17)21(26)16-9-5-3-6-10-16/h3-15,22H,1-2H3
InChIKeyWQCKLLUWRCQBQM-UHFFFAOYSA-N
XLogP4.30
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.93
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2S)-3-oxobutan-2-yl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722317
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722327
(2-methoxy-2-oxo-1-phenylethyl) 4-chloro-3-methylsulfonylbenzoate
CID 43023367
(2-amino-2-oxo-1-phenylethyl) 4-chloro-3-methylsulfonylbenzoate
CID 42931304
2-phenoxyethyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722281
(2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate
CID 55427927
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722333
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 46684950
(4-methoxycarbonylphenyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 9192150
(2-oxo-1,2-diphenylethyl) 3,4-dimethoxybenzoate
CID 19132863
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 47868276

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate (CID 46825504) is (2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate is CON(C)S(=O)(=O)c1cc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)ccc1Cl.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate?
The InChIKey is WQCKLLUWRCQBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO6S/c1-25(30-2)32(28,29)20-15-18(13-14-19(20)24)23(27)31-22(17-11-7-4-8-12-17)21(26)16-9-5-3-6-10-16/h3-15,22H,1-2H3.
What are the key properties of (2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate?
(2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate has a molecular weight of 473.93 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 46825504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).