3-[(Z)-but-2-enoxy]-1-(4-chlorophenyl)sulfonylpiperidine

C15H20ClNO3S — CID 42682766

IUPAC3-[(Z)-but-2-enoxy]-1-(4-chlorophenyl)sulfonylpiperidine
SMILESC/C=C\COC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO3S/c1-2-3-11-20-14-5-4-10-17(12-14)21(18,19)15-8-6-13(16)7-9-15/h2-3,6-9,14H,4-5,10-12H2,1H3/b3-2-
InChIKeyUXKVXDAQTQRPGB-IHWYPQMZSA-N
MW329.85 g/mol
LogP3.09
Rot. Bonds5

About 3-[(Z)-but-2-enoxy]-1-(4-chlorophenyl)sulfonylpiperidine

3-[(Z)-but-2-enoxy]-1-(4-chlorophenyl)sulfonylpiperidine (PubChem CID 42682766) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 3-[(Z)-but-2-enoxy]-1-(4-chlorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3-[(Z)-but-2-enoxy]-1-(4-chlorophenyl)sulfonylpiperidine
PubChem CID42682766
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name3-[(Z)-but-2-enoxy]-1-(4-chlorophenyl)sulfonylpiperidine
SMILESC/C=C\COC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO3S/c1-2-3-11-20-14-5-4-10-17(12-14)21(18,19)15-8-6-13(16)7-9-15/h2-3,6-9,14H,4-5,10-12H2,1H3/b3-2-
InChIKeyUXKVXDAQTQRPGB-IHWYPQMZSA-N
XLogP3.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-2-enoxy]-1-(4-chlorophenyl)sulfonylpiperidine?
The IUPAC name of 3-[(Z)-but-2-enoxy]-1-(4-chlorophenyl)sulfonylpiperidine (CID 42682766) is 3-[(Z)-but-2-enoxy]-1-(4-chlorophenyl)sulfonylpiperidine.
What is the SMILES notation for 3-[(Z)-but-2-enoxy]-1-(4-chlorophenyl)sulfonylpiperidine?
The canonical SMILES for 3-[(Z)-but-2-enoxy]-1-(4-chlorophenyl)sulfonylpiperidine is C/C=C\COC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[(Z)-but-2-enoxy]-1-(4-chlorophenyl)sulfonylpiperidine?
The InChIKey is UXKVXDAQTQRPGB-IHWYPQMZSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-2-3-11-20-14-5-4-10-17(12-14)21(18,19)15-8-6-13(16)7-9-15/h2-3,6-9,14H,4-5,10-12H2,1H3/b3-2-.
What are the key properties of 3-[(Z)-but-2-enoxy]-1-(4-chlorophenyl)sulfonylpiperidine?
3-[(Z)-but-2-enoxy]-1-(4-chlorophenyl)sulfonylpiperidine has a molecular weight of 329.85 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-2-enoxy]-1-(4-chlorophenyl)sulfonylpiperidine is sourced from PubChem (CID 42682766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).