(2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate

C15H14ClNO5S2 — CID 2524418

IUPAC(2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2cccs2)c1
InChIInChI=1S/C15H14ClNO5S2/c1-17(2)24(20,21)10-5-6-12(16)11(8-10)15(19)22-9-13(18)14-4-3-7-23-14/h3-8H,9H2,1-2H3
InChIKeyZVXLVCWJOZXWPA-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.69
Rot. Bonds6

About (2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate

(2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate (PubChem CID 2524418) has the molecular formula C15H14ClNO5S2 and a molecular weight of 387.87 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate
PubChem CID2524418
Molecular FormulaC15H14ClNO5S2
Molecular Weight387.87 g/mol
Exact Mass387.00
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2cccs2)c1
InChIInChI=1S/C15H14ClNO5S2/c1-17(2)24(20,21)10-5-6-12(16)11(8-10)15(19)22-9-13(18)14-4-3-7-23-14/h3-8H,9H2,1-2H3
InChIKeyZVXLVCWJOZXWPA-UHFFFAOYSA-N
XLogP2.69
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2654385
(4-oxo-4-thiophen-2-ylbutyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976129
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 30788136
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 31634620
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524424
(2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2523778
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 31729782
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2648905
(3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878758
[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-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524366

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate (CID 2524418) is (2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2cccs2)c1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate?
The InChIKey is ZVXLVCWJOZXWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5S2/c1-17(2)24(20,21)10-5-6-12(16)11(8-10)15(19)22-9-13(18)14-4-3-7-23-14/h3-8H,9H2,1-2H3.
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate?
(2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate has a molecular weight of 387.87 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2524418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).