cyclohexyl 2-(benzenesulfonamido)acetate

C14H19NO4S — CID 4983511

IUPACcyclohexyl 2-(benzenesulfonamido)acetate
SMILESO=C(CNS(=O)(=O)c1ccccc1)OC1CCCCC1
InChIInChI=1S/C14H19NO4S/c16-14(19-12-7-3-1-4-8-12)11-15-20(17,18)13-9-5-2-6-10-13/h2,5-6,9-10,12,15H,1,3-4,7-8,11H2
InChIKeyJNYGQEGURQMWMG-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.84
Rot. Bonds5

About cyclohexyl 2-(benzenesulfonamido)acetate

cyclohexyl 2-(benzenesulfonamido)acetate (PubChem CID 4983511) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is cyclohexyl 2-(benzenesulfonamido)acetate.

Molecular Properties

Compound Namecyclohexyl 2-(benzenesulfonamido)acetate
PubChem CID4983511
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Namecyclohexyl 2-(benzenesulfonamido)acetate
SMILESO=C(CNS(=O)(=O)c1ccccc1)OC1CCCCC1
InChIInChI=1S/C14H19NO4S/c16-14(19-12-7-3-1-4-8-12)11-15-20(17,18)13-9-5-2-6-10-13/h2,5-6,9-10,12,15H,1,3-4,7-8,11H2
InChIKeyJNYGQEGURQMWMG-UHFFFAOYSA-N
XLogP1.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cycloheptyl 2-anilinoacetate
CID 61303915
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate
CID 110183811
3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
cyclopentyl 2-(cyclohexylamino)acetate;4-methylbenzenesulfonic acid
CID 89497102
cyclododecyl 4-phenylbutanoate
CID 23159480
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate
CID 8880051
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 63106764
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
cyclooctyl benzenesulfonate
CID 89439910

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(benzenesulfonamido)acetate?
The IUPAC name of cyclohexyl 2-(benzenesulfonamido)acetate (CID 4983511) is cyclohexyl 2-(benzenesulfonamido)acetate.
What is the SMILES notation for cyclohexyl 2-(benzenesulfonamido)acetate?
The canonical SMILES for cyclohexyl 2-(benzenesulfonamido)acetate is O=C(CNS(=O)(=O)c1ccccc1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(benzenesulfonamido)acetate?
The InChIKey is JNYGQEGURQMWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c16-14(19-12-7-3-1-4-8-12)11-15-20(17,18)13-9-5-2-6-10-13/h2,5-6,9-10,12,15H,1,3-4,7-8,11H2.
What are the key properties of cyclohexyl 2-(benzenesulfonamido)acetate?
cyclohexyl 2-(benzenesulfonamido)acetate has a molecular weight of 297.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(benzenesulfonamido)acetate is sourced from PubChem (CID 4983511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).