cyclohexylmethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate

C13H17ClO5S — CID 65374723

IUPACcyclohexylmethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
SMILESCc1oc(C(=O)OCC2CCCCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H17ClO5S/c1-9-12(20(14,16)17)7-11(19-9)13(15)18-8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3
InChIKeySGYKXWPVELYPLK-UHFFFAOYSA-N
MW320.79 g/mol
LogP3.25
Rot. Bonds4

About cyclohexylmethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate

cyclohexylmethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate (PubChem CID 65374723) has the molecular formula C13H17ClO5S and a molecular weight of 320.79 g/mol. Its IUPAC name is cyclohexylmethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
PubChem CID65374723
Molecular FormulaC13H17ClO5S
Molecular Weight320.79 g/mol
Exact Mass320.05
IUPAC Namecyclohexylmethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
SMILESCc1oc(C(=O)OCC2CCCCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H17ClO5S/c1-9-12(20(14,16)17)7-11(19-9)13(15)18-8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3
InChIKeySGYKXWPVELYPLK-UHFFFAOYSA-N
XLogP3.25
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate?
The IUPAC name of cyclohexylmethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate (CID 65374723) is cyclohexylmethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate.
What is the SMILES notation for cyclohexylmethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate?
The canonical SMILES for cyclohexylmethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate is Cc1oc(C(=O)OCC2CCCCC2)cc1S(=O)(=O)Cl.
What is the InChIKey of cyclohexylmethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate?
The InChIKey is SGYKXWPVELYPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO5S/c1-9-12(20(14,16)17)7-11(19-9)13(15)18-8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3.
What are the key properties of cyclohexylmethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate?
cyclohexylmethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate has a molecular weight of 320.79 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate is sourced from PubChem (CID 65374723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).