1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde

C11H13FN2O3S — CID 63844852

IUPAC1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(S(=O)(=O)c2cncc(F)c2)CC1
InChIInChI=1S/C11H13FN2O3S/c12-10-5-11(7-13-6-10)18(16,17)14-3-1-9(8-15)2-4-14/h5-9H,1-4H2
InChIKeyQRLUSBVQNGMJLX-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.82
Rot. Bonds3

About 1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde

1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde (PubChem CID 63844852) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde
PubChem CID63844852
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(S(=O)(=O)c2cncc(F)c2)CC1
InChIInChI=1S/C11H13FN2O3S/c12-10-5-11(7-13-6-10)18(16,17)14-3-1-9(8-15)2-4-14/h5-9H,1-4H2
InChIKeyQRLUSBVQNGMJLX-UHFFFAOYSA-N
XLogP0.82
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-fluoro-3-pyridinyl)sulfonyl]morpholine
CID 62039673
2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid
CID 63876850
1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine
CID 63764885
1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 95381894
methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate
CID 78918761
6-[(5-fluoro-3-pyridinyl)sulfonyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680929
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63844683
1-(3-bromophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63845024
methyl (3S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 79032886
2-[4-[(5-fluoro-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]acetic acid
CID 62824486
2-[4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-1-yl]propanethioamide
CID 63342076
1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde
CID 112676509

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde (CID 63844852) is 1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde is O=CC1CCN(S(=O)(=O)c2cncc(F)c2)CC1.
What is the InChIKey of 1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde?
The InChIKey is QRLUSBVQNGMJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c12-10-5-11(7-13-6-10)18(16,17)14-3-1-9(8-15)2-4-14/h5-9H,1-4H2.
What are the key properties of 1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde?
1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde has a molecular weight of 272.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 63844852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).