1-(4-fluorophenyl)sulfonylpiperidine-4-carbaldehyde

C12H14FNO3S — CID 18678517

IUPAC1-(4-fluorophenyl)sulfonylpiperidine-4-carbaldehyde
SMILESO=CC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H14FNO3S/c13-11-1-3-12(4-2-11)18(16,17)14-7-5-10(9-15)6-8-14/h1-4,9-10H,5-8H2
InChIKeyZJDWZSMKEMGEHZ-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.43
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonylpiperidine-4-carbaldehyde

1-(4-fluorophenyl)sulfonylpiperidine-4-carbaldehyde (PubChem CID 18678517) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonylpiperidine-4-carbaldehyde
PubChem CID18678517
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC Name1-(4-fluorophenyl)sulfonylpiperidine-4-carbaldehyde
SMILESO=CC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H14FNO3S/c13-11-1-3-12(4-2-11)18(16,17)14-7-5-10(9-15)6-8-14/h1-4,9-10H,5-8H2
InChIKeyZJDWZSMKEMGEHZ-UHFFFAOYSA-N
XLogP1.43
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonylpiperidine-4-carbaldehyde?
The IUPAC name of 1-(4-fluorophenyl)sulfonylpiperidine-4-carbaldehyde (CID 18678517) is 1-(4-fluorophenyl)sulfonylpiperidine-4-carbaldehyde.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonylpiperidine-4-carbaldehyde?
The canonical SMILES for 1-(4-fluorophenyl)sulfonylpiperidine-4-carbaldehyde is O=CC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonylpiperidine-4-carbaldehyde?
The InChIKey is ZJDWZSMKEMGEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3S/c13-11-1-3-12(4-2-11)18(16,17)14-7-5-10(9-15)6-8-14/h1-4,9-10H,5-8H2.
What are the key properties of 1-(4-fluorophenyl)sulfonylpiperidine-4-carbaldehyde?
1-(4-fluorophenyl)sulfonylpiperidine-4-carbaldehyde has a molecular weight of 271.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonylpiperidine-4-carbaldehyde is sourced from PubChem (CID 18678517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).