(3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate

C16H15Cl2NO4S — CID 7878758

IUPAC(3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H15Cl2NO4S/c1-19(2)24(21,22)13-6-7-15(18)14(9-13)16(20)23-10-11-4-3-5-12(17)8-11/h3-9H,10H2,1-2H3
InChIKeyHQMJRKJXPJWWIA-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.60
Rot. Bonds5

About (3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate

(3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate (PubChem CID 7878758) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
PubChem CID7878758
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Name(3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H15Cl2NO4S/c1-19(2)24(21,22)13-6-7-15(18)14(9-13)16(20)23-10-11-4-3-5-12(17)8-11/h3-9H,10H2,1-2H3
InChIKeyHQMJRKJXPJWWIA-UHFFFAOYSA-N
XLogP3.60
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate
CID 42986561
(3-chlorophenyl)methyl 2-methyl-5-methylsulfonylbenzoate
CID 16518238
(2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878752
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524372
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 46792473
2-(3-chlorophenoxy)ethyl 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate
CID 16531783
[3-(dimethylsulfamoyl)phenyl]methyl 1-chloro-9,10-dioxoanthracene-2-carboxylate
CID 4834337
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2,5-dichlorobenzoate
CID 39412489
(2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524418
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 2,5-dichlorobenzoate
CID 46814003
2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2648928
[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2654385

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate?
The IUPAC name of (3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate (CID 7878758) is (3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cccc(Cl)c2)c1.
What is the InChIKey of (3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate?
The InChIKey is HQMJRKJXPJWWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-19(2)24(21,22)13-6-7-15(18)14(9-13)16(20)23-10-11-4-3-5-12(17)8-11/h3-9H,10H2,1-2H3.
What are the key properties of (3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate?
(3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate has a molecular weight of 388.27 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 7878758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).