[2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate

C23H20ClNO6S — CID 16535037

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccccc1C(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C23H20ClNO6S/c1-25(18-9-6-8-17(24)14-18)32(28,29)19-10-5-7-16(13-19)23(27)31-15-21(26)20-11-3-4-12-22(20)30-2/h3-14H,15H2,1-2H3
InChIKeyAMLVOVVHZNCRFJ-UHFFFAOYSA-N
MW473.93 g/mol
LogP4.21
Rot. Bonds8

About [2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate

[2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate (PubChem CID 16535037) has the molecular formula C23H20ClNO6S and a molecular weight of 473.93 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
PubChem CID16535037
Molecular FormulaC23H20ClNO6S
Molecular Weight473.93 g/mol
Exact Mass473.07
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccccc1C(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C23H20ClNO6S/c1-25(18-9-6-8-17(24)14-18)32(28,29)19-10-5-7-16(13-19)23(27)31-15-21(26)20-11-3-4-12-22(20)30-2/h3-14H,15H2,1-2H3
InChIKeyAMLVOVVHZNCRFJ-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 42003002
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577443
[2-(4-methylanilino)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 42965242
[2-oxo-2-(propylamino)ethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 16535046
[2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 32698494
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 29155226
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2586329
[2-(2-methoxyanilino)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2348338
(4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 27347939
[2-(2-methoxyphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 16520940
2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 27011553
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 2345454

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate (CID 16535037) is [2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate is COc1ccccc1C(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
The InChIKey is AMLVOVVHZNCRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO6S/c1-25(18-9-6-8-17(24)14-18)32(28,29)19-10-5-7-16(13-19)23(27)31-15-21(26)20-11-3-4-12-22(20)30-2/h3-14H,15H2,1-2H3.
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
[2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate has a molecular weight of 473.93 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 16535037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).