[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate

C19H20ClNO7S — CID 30788136

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1
InChIInChI=1S/C19H20ClNO7S/c1-21(2)29(24,25)13-6-7-16(20)14(10-13)19(23)28-11-17(22)15-9-12(26-3)5-8-18(15)27-4/h5-10H,11H2,1-4H3
InChIKeyQNHAEWAQNQOOGZ-UHFFFAOYSA-N
MW441.89 g/mol
LogP2.65
Rot. Bonds8

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate (PubChem CID 30788136) has the molecular formula C19H20ClNO7S and a molecular weight of 441.89 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
PubChem CID30788136
Molecular FormulaC19H20ClNO7S
Molecular Weight441.89 g/mol
Exact Mass441.06
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1
InChIInChI=1S/C19H20ClNO7S/c1-21(2)29(24,25)13-6-7-16(20)14(10-13)19(23)28-11-17(22)15-9-12(26-3)5-8-18(15)27-4/h5-10H,11H2,1-4H3
InChIKeyQNHAEWAQNQOOGZ-UHFFFAOYSA-N
XLogP2.65
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate with MolForge

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
CID 2096696
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 27738707
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7887065
(2-carbamoyl-5-methoxyphenyl) 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 16549761
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524424
[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2654385
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 7875123
(2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878752
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7628154
(2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524418
[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524429
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 55391584

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate (CID 30788136) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate is COc1ccc(OC)c(C(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
The InChIKey is QNHAEWAQNQOOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO7S/c1-21(2)29(24,25)13-6-7-16(20)14(10-13)19(23)28-11-17(22)15-9-12(26-3)5-8-18(15)27-4/h5-10H,11H2,1-4H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate has a molecular weight of 441.89 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 30788136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).