5-(cyclohexylsulfonylmethyl)-2-fluoropyridine

C12H16FNO2S — CID 167968231

IUPAC5-(cyclohexylsulfonylmethyl)-2-fluoropyridine
SMILESO=S(=O)(Cc1ccc(F)nc1)C1CCCCC1
InChIInChI=1S/C12H16FNO2S/c13-12-7-6-10(8-14-12)9-17(15,16)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2
InChIKeyGDDGSQLGTBRCQE-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.47
Rot. Bonds3

About 5-(cyclohexylsulfonylmethyl)-2-fluoropyridine

5-(cyclohexylsulfonylmethyl)-2-fluoropyridine (PubChem CID 167968231) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-(cyclohexylsulfonylmethyl)-2-fluoropyridine.

Molecular Properties

Compound Name5-(cyclohexylsulfonylmethyl)-2-fluoropyridine
PubChem CID167968231
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name5-(cyclohexylsulfonylmethyl)-2-fluoropyridine
SMILESO=S(=O)(Cc1ccc(F)nc1)C1CCCCC1
InChIInChI=1S/C12H16FNO2S/c13-12-7-6-10(8-14-12)9-17(15,16)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2
InChIKeyGDDGSQLGTBRCQE-UHFFFAOYSA-N
XLogP2.47
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylsulfonylmethyl)-2-fluoropyridine?
The IUPAC name of 5-(cyclohexylsulfonylmethyl)-2-fluoropyridine (CID 167968231) is 5-(cyclohexylsulfonylmethyl)-2-fluoropyridine.
What is the SMILES notation for 5-(cyclohexylsulfonylmethyl)-2-fluoropyridine?
The canonical SMILES for 5-(cyclohexylsulfonylmethyl)-2-fluoropyridine is O=S(=O)(Cc1ccc(F)nc1)C1CCCCC1.
What is the InChIKey of 5-(cyclohexylsulfonylmethyl)-2-fluoropyridine?
The InChIKey is GDDGSQLGTBRCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c13-12-7-6-10(8-14-12)9-17(15,16)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2.
What are the key properties of 5-(cyclohexylsulfonylmethyl)-2-fluoropyridine?
5-(cyclohexylsulfonylmethyl)-2-fluoropyridine has a molecular weight of 257.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylsulfonylmethyl)-2-fluoropyridine is sourced from PubChem (CID 167968231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).