[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate

C23H20ClNO7S — CID 2637800

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C23H20ClNO7S/c1-30-16-9-12-19(22(13-16)31-2)21(26)14-32-23(27)18-5-3-4-6-20(18)25-33(28,29)17-10-7-15(24)8-11-17/h3-13,25H,14H2,1-2H3
InChIKeyAWYSOCGQOUDPPV-UHFFFAOYSA-N
MW489.93 g/mol
LogP4.20
Rot. Bonds9

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate (PubChem CID 2637800) has the molecular formula C23H20ClNO7S and a molecular weight of 489.93 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
PubChem CID2637800
Molecular FormulaC23H20ClNO7S
Molecular Weight489.93 g/mol
Exact Mass489.06
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C23H20ClNO7S/c1-30-16-9-12-19(22(13-16)31-2)21(26)14-32-23(27)18-5-3-4-6-20(18)25-33(28,29)17-10-7-15(24)8-11-17/h3-13,25H,14H2,1-2H3
InChIKeyAWYSOCGQOUDPPV-UHFFFAOYSA-N
XLogP4.20
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.93
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953621
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 16521702
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 42967797
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 2663411
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate
CID 2604638
[2-oxo-2-(propylamino)ethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 2508682
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 2637744
N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide
CID 11279720
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 16619794
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 2553219
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(4-bromophenyl)sulfonylamino]benzoate
CID 2351121
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2R,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 2411284

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate (CID 2637800) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate is COc1ccc(C(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate?
The InChIKey is AWYSOCGQOUDPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO7S/c1-30-16-9-12-19(22(13-16)31-2)21(26)14-32-23(27)18-5-3-4-6-20(18)25-33(28,29)17-10-7-15(24)8-11-17/h3-13,25H,14H2,1-2H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate has a molecular weight of 489.93 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 2637800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).