cyclohexyl 3-(methylsulfamoyl)benzoate

C14H19NO4S — CID 78840543

IUPACcyclohexyl 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OC2CCCCC2)c1
InChIInChI=1S/C14H19NO4S/c1-15-20(17,18)13-9-5-6-11(10-13)14(16)19-12-7-3-2-4-8-12/h5-6,9-10,12,15H,2-4,7-8H2,1H3
InChIKeyGOXOMFXMSVGMSJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.08
Rot. Bonds4

About cyclohexyl 3-(methylsulfamoyl)benzoate

cyclohexyl 3-(methylsulfamoyl)benzoate (PubChem CID 78840543) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is cyclohexyl 3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Namecyclohexyl 3-(methylsulfamoyl)benzoate
PubChem CID78840543
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Namecyclohexyl 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OC2CCCCC2)c1
InChIInChI=1S/C14H19NO4S/c1-15-20(17,18)13-9-5-6-11(10-13)14(16)19-12-7-3-2-4-8-12/h5-6,9-10,12,15H,2-4,7-8H2,1H3
InChIKeyGOXOMFXMSVGMSJ-UHFFFAOYSA-N
XLogP2.08
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dicyclohexylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 3915841
cyclohexyl 3-bromobenzoate
CID 59510745
cyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)sulfamoyl]benzoate
CID 167681469
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2605789
cyclopentyl 3-hydroxybenzoate
CID 82096879
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
cyclopentyl 3-(carbamoylamino)benzoate
CID 47128803
cyclobutyl 3-methylbenzoate
CID 530470
(3-methoxycyclohexyl) 3-chlorosulfonylbenzoate
CID 65374740
(3-methoxycyclohexyl) 3-sulfamoylbenzoate
CID 65381914
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 7448825
dicyclohexyl 5-chlorosulfonylbenzene-1,3-dicarboxylate
CID 170992105

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-(methylsulfamoyl)benzoate?
The IUPAC name of cyclohexyl 3-(methylsulfamoyl)benzoate (CID 78840543) is cyclohexyl 3-(methylsulfamoyl)benzoate.
What is the SMILES notation for cyclohexyl 3-(methylsulfamoyl)benzoate?
The canonical SMILES for cyclohexyl 3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cccc(C(=O)OC2CCCCC2)c1.
What is the InChIKey of cyclohexyl 3-(methylsulfamoyl)benzoate?
The InChIKey is GOXOMFXMSVGMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-15-20(17,18)13-9-5-6-11(10-13)14(16)19-12-7-3-2-4-8-12/h5-6,9-10,12,15H,2-4,7-8H2,1H3.
What are the key properties of cyclohexyl 3-(methylsulfamoyl)benzoate?
cyclohexyl 3-(methylsulfamoyl)benzoate has a molecular weight of 297.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 78840543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).