8-[(1-chloropiperidin-4-yl)-difluoromethyl]sulfonylimidazo[1,2-a]pyridine

C13H14ClF2N3O2S — CID 122430352

IUPAC8-[(1-chloropiperidin-4-yl)-difluoromethyl]sulfonylimidazo[1,2-a]pyridine
SMILESO=S(=O)(c1cccn2ccnc12)C(F)(F)C1CCN(Cl)CC1
InChIInChI=1S/C13H14ClF2N3O2S/c14-19-7-3-10(4-8-19)13(15,16)22(20,21)11-2-1-6-18-9-5-17-12(11)18/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyBENAHOOSZFXZLB-UHFFFAOYSA-N
MW349.79 g/mol
LogP2.57
Rot. Bonds3

About 8-[(1-chloropiperidin-4-yl)-difluoromethyl]sulfonylimidazo[1,2-a]pyridine

8-[(1-chloropiperidin-4-yl)-difluoromethyl]sulfonylimidazo[1,2-a]pyridine (PubChem CID 122430352) has the molecular formula C13H14ClF2N3O2S and a molecular weight of 349.79 g/mol. Its IUPAC name is 8-[(1-chloropiperidin-4-yl)-difluoromethyl]sulfonylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-[(1-chloropiperidin-4-yl)-difluoromethyl]sulfonylimidazo[1,2-a]pyridine
PubChem CID122430352
Molecular FormulaC13H14ClF2N3O2S
Molecular Weight349.79 g/mol
Exact Mass349.05
IUPAC Name8-[(1-chloropiperidin-4-yl)-difluoromethyl]sulfonylimidazo[1,2-a]pyridine
SMILESO=S(=O)(c1cccn2ccnc12)C(F)(F)C1CCN(Cl)CC1
InChIInChI=1S/C13H14ClF2N3O2S/c14-19-7-3-10(4-8-19)13(15,16)22(20,21)11-2-1-6-18-9-5-17-12(11)18/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyBENAHOOSZFXZLB-UHFFFAOYSA-N
XLogP2.57
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-chloropiperidin-4-yl)-difluoromethyl]sulfonylimidazo[1,2-a]pyridine?
The IUPAC name of 8-[(1-chloropiperidin-4-yl)-difluoromethyl]sulfonylimidazo[1,2-a]pyridine (CID 122430352) is 8-[(1-chloropiperidin-4-yl)-difluoromethyl]sulfonylimidazo[1,2-a]pyridine.
What is the SMILES notation for 8-[(1-chloropiperidin-4-yl)-difluoromethyl]sulfonylimidazo[1,2-a]pyridine?
The canonical SMILES for 8-[(1-chloropiperidin-4-yl)-difluoromethyl]sulfonylimidazo[1,2-a]pyridine is O=S(=O)(c1cccn2ccnc12)C(F)(F)C1CCN(Cl)CC1.
What is the InChIKey of 8-[(1-chloropiperidin-4-yl)-difluoromethyl]sulfonylimidazo[1,2-a]pyridine?
The InChIKey is BENAHOOSZFXZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2N3O2S/c14-19-7-3-10(4-8-19)13(15,16)22(20,21)11-2-1-6-18-9-5-17-12(11)18/h1-2,5-6,9-10H,3-4,7-8H2.
What are the key properties of 8-[(1-chloropiperidin-4-yl)-difluoromethyl]sulfonylimidazo[1,2-a]pyridine?
8-[(1-chloropiperidin-4-yl)-difluoromethyl]sulfonylimidazo[1,2-a]pyridine has a molecular weight of 349.79 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-chloropiperidin-4-yl)-difluoromethyl]sulfonylimidazo[1,2-a]pyridine is sourced from PubChem (CID 122430352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).