cyclohexyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate

C18H24ClNO4S — CID 8764316

IUPACcyclohexyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESO=C(OC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClNO4S/c19-15-6-8-17(9-7-15)25(22,23)20-12-10-14(11-13-20)18(21)24-16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-13H2
InChIKeyUBQWMRWINOJGQN-UHFFFAOYSA-N
MW385.91 g/mol
LogP3.62
Rot. Bonds4

About cyclohexyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate

cyclohexyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 8764316) has the molecular formula C18H24ClNO4S and a molecular weight of 385.91 g/mol. Its IUPAC name is cyclohexyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Namecyclohexyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID8764316
Molecular FormulaC18H24ClNO4S
Molecular Weight385.91 g/mol
Exact Mass385.11
IUPAC Namecyclohexyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESO=C(OC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClNO4S/c19-15-6-8-17(9-7-15)25(22,23)20-12-10-14(11-13-20)18(21)24-16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-13H2
InChIKeyUBQWMRWINOJGQN-UHFFFAOYSA-N
XLogP3.62
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.91
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of cyclohexyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate (CID 8764316) is cyclohexyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for cyclohexyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for cyclohexyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate is O=C(OC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of cyclohexyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is UBQWMRWINOJGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO4S/c19-15-6-8-17(9-7-15)25(22,23)20-12-10-14(11-13-20)18(21)24-16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-13H2.
What are the key properties of cyclohexyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate?
cyclohexyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 385.91 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 8764316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).