cyclohexyl 4-(dimethylsulfamoyl)benzoate

C15H21NO4S — CID 2079292

IUPACcyclohexyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C15H21NO4S/c1-16(2)21(18,19)14-10-8-12(9-11-14)15(17)20-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3
InChIKeyDEUFEDRUPOJLGX-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.43
Rot. Bonds4

About cyclohexyl 4-(dimethylsulfamoyl)benzoate

cyclohexyl 4-(dimethylsulfamoyl)benzoate (PubChem CID 2079292) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is cyclohexyl 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Namecyclohexyl 4-(dimethylsulfamoyl)benzoate
PubChem CID2079292
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Namecyclohexyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C15H21NO4S/c1-16(2)21(18,19)14-10-8-12(9-11-14)15(17)20-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3
InChIKeyDEUFEDRUPOJLGX-UHFFFAOYSA-N
XLogP2.43
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclododecyl 4-(dimethylsulfamoyl)benzoate
CID 5032612
(1-methylpiperidin-3-yl) 4-(dimethylsulfamoyl)benzoate chloride
CID 53352548
cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate
CID 52651787
[2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 4544453
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
[2-(4-cyclohexylphenyl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 3684891
cyclohexyl 4-(dimethylcarbamoylamino)benzoate
CID 110443782
cyclopentyl 4-fluorobenzoate
CID 579482
[(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 2375035
cyclododecyl 4-acetamidobenzoate
CID 3973983
cyclohexyl 2-[(4-cyanophenyl)sulfonyl-methylamino]acetate
CID 24662229
9H-xanthen-9-yl 4-(dimethylsulfamoyl)benzoate
CID 8871490

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of cyclohexyl 4-(dimethylsulfamoyl)benzoate (CID 2079292) is cyclohexyl 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for cyclohexyl 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for cyclohexyl 4-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)OC2CCCCC2)cc1.
What is the InChIKey of cyclohexyl 4-(dimethylsulfamoyl)benzoate?
The InChIKey is DEUFEDRUPOJLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-16(2)21(18,19)14-10-8-12(9-11-14)15(17)20-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3.
What are the key properties of cyclohexyl 4-(dimethylsulfamoyl)benzoate?
cyclohexyl 4-(dimethylsulfamoyl)benzoate has a molecular weight of 311.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2079292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).