1-(4-chlorophenyl)sulfonyl-4-hept-1-en-4-yloxypiperidine

C18H26ClNO3S — CID 174453450

IUPAC1-(4-chlorophenyl)sulfonyl-4-hept-1-en-4-yloxypiperidine
SMILESC=CCC(CCC)OC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClNO3S/c1-3-5-16(6-4-2)23-17-11-13-20(14-12-17)24(21,22)18-9-7-15(19)8-10-18/h3,7-10,16-17H,1,4-6,11-14H2,2H3
InChIKeyUZDLKCUFMUDZLC-UHFFFAOYSA-N
MW371.93 g/mol
LogP4.25
Rot. Bonds8

About 1-(4-chlorophenyl)sulfonyl-4-hept-1-en-4-yloxypiperidine

1-(4-chlorophenyl)sulfonyl-4-hept-1-en-4-yloxypiperidine (PubChem CID 174453450) has the molecular formula C18H26ClNO3S and a molecular weight of 371.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-hept-1-en-4-yloxypiperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-hept-1-en-4-yloxypiperidine
PubChem CID174453450
Molecular FormulaC18H26ClNO3S
Molecular Weight371.93 g/mol
Exact Mass371.13
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-hept-1-en-4-yloxypiperidine
SMILESC=CCC(CCC)OC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClNO3S/c1-3-5-16(6-4-2)23-17-11-13-20(14-12-17)24(21,22)18-9-7-15(19)8-10-18/h3,7-10,16-17H,1,4-6,11-14H2,2H3
InChIKeyUZDLKCUFMUDZLC-UHFFFAOYSA-N
XLogP4.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 54.25
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 1-(4-chlorophenyl)sulfonyl-4-hept-1-en-4-yloxypiperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-hept-1-en-4-yloxypiperidine (CID 174453450) is 1-(4-chlorophenyl)sulfonyl-4-hept-1-en-4-yloxypiperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-hept-1-en-4-yloxypiperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-hept-1-en-4-yloxypiperidine is C=CCC(CCC)OC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-hept-1-en-4-yloxypiperidine?
The InChIKey is UZDLKCUFMUDZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO3S/c1-3-5-16(6-4-2)23-17-11-13-20(14-12-17)24(21,22)18-9-7-15(19)8-10-18/h3,7-10,16-17H,1,4-6,11-14H2,2H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-hept-1-en-4-yloxypiperidine?
1-(4-chlorophenyl)sulfonyl-4-hept-1-en-4-yloxypiperidine has a molecular weight of 371.93 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-hept-1-en-4-yloxypiperidine is sourced from PubChem (CID 174453450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).