[(1R)-2-oxocyclopentyl] 2-chloro-5-(dimethylsulfamoyl)benzoate

C14H16ClNO5S — CID 2679723

IUPAC[(1R)-2-oxocyclopentyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H]2CCCC2=O)c1
InChIInChI=1S/C14H16ClNO5S/c1-16(2)22(19,20)9-6-7-11(15)10(8-9)14(18)21-13-5-3-4-12(13)17/h6-8,13H,3-5H2,1-2H3/t13-/m1/s1
InChIKeyBRUZGVNHGMEZBF-CYBMUJFWSA-N
MW345.80 g/mol
LogP1.87
Rot. Bonds4

About [(1R)-2-oxocyclopentyl] 2-chloro-5-(dimethylsulfamoyl)benzoate

[(1R)-2-oxocyclopentyl] 2-chloro-5-(dimethylsulfamoyl)benzoate (PubChem CID 2679723) has the molecular formula C14H16ClNO5S and a molecular weight of 345.80 g/mol. Its IUPAC name is [(1R)-2-oxocyclopentyl] 2-chloro-5-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[(1R)-2-oxocyclopentyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
PubChem CID2679723
Molecular FormulaC14H16ClNO5S
Molecular Weight345.80 g/mol
Exact Mass345.04
IUPAC Name[(1R)-2-oxocyclopentyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H]2CCCC2=O)c1
InChIInChI=1S/C14H16ClNO5S/c1-16(2)22(19,20)9-6-7-11(15)10(8-9)14(18)21-13-5-3-4-12(13)17/h6-8,13H,3-5H2,1-2H3/t13-/m1/s1
InChIKeyBRUZGVNHGMEZBF-CYBMUJFWSA-N
XLogP1.87
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.80
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-oxocyclohexyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878762
[(1R)-2-oxocyclohexyl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate
CID 7902202
[(1S)-2-oxocyclopentyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2676935
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878742
2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
[(3S)-2-oxooxolan-3-yl] 2-chloro-5-methylsulfonylbenzoate
CID 2502939
(2-oxocyclohexyl) 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 4044670
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2654403
3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide
CID 78802366
2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide
CID 36520929
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 31634620

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxocyclopentyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
The IUPAC name of [(1R)-2-oxocyclopentyl] 2-chloro-5-(dimethylsulfamoyl)benzoate (CID 2679723) is [(1R)-2-oxocyclopentyl] 2-chloro-5-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [(1R)-2-oxocyclopentyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [(1R)-2-oxocyclopentyl] 2-chloro-5-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H]2CCCC2=O)c1.
What is the InChIKey of [(1R)-2-oxocyclopentyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
The InChIKey is BRUZGVNHGMEZBF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16ClNO5S/c1-16(2)22(19,20)9-6-7-11(15)10(8-9)14(18)21-13-5-3-4-12(13)17/h6-8,13H,3-5H2,1-2H3/t13-/m1/s1.
What are the key properties of [(1R)-2-oxocyclopentyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
[(1R)-2-oxocyclopentyl] 2-chloro-5-(dimethylsulfamoyl)benzoate has a molecular weight of 345.80 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxocyclopentyl] 2-chloro-5-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2679723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).