5-(2-tert-butylsulfonylethoxy)-2-chloropyridine

C11H16ClNO3S — CID 106735269

IUPAC5-(2-tert-butylsulfonylethoxy)-2-chloropyridine
SMILESCC(C)(C)S(=O)(=O)CCOc1ccc(Cl)nc1
InChIInChI=1S/C11H16ClNO3S/c1-11(2,3)17(14,15)7-6-16-9-4-5-10(12)13-8-9/h4-5,8H,6-7H2,1-3H3
InChIKeyYJFMRPRYHPMZIE-UHFFFAOYSA-N
MW277.77 g/mol
LogP2.33
Rot. Bonds4

About 5-(2-tert-butylsulfonylethoxy)-2-chloropyridine

5-(2-tert-butylsulfonylethoxy)-2-chloropyridine (PubChem CID 106735269) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 5-(2-tert-butylsulfonylethoxy)-2-chloropyridine.

Molecular Properties

Compound Name5-(2-tert-butylsulfonylethoxy)-2-chloropyridine
PubChem CID106735269
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name5-(2-tert-butylsulfonylethoxy)-2-chloropyridine
SMILESCC(C)(C)S(=O)(=O)CCOc1ccc(Cl)nc1
InChIInChI=1S/C11H16ClNO3S/c1-11(2,3)17(14,15)7-6-16-9-4-5-10(12)13-8-9/h4-5,8H,6-7H2,1-3H3
InChIKeyYJFMRPRYHPMZIE-UHFFFAOYSA-N
XLogP2.33
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-tert-butylsulfonylethoxy)-2-chloropyridine?
The IUPAC name of 5-(2-tert-butylsulfonylethoxy)-2-chloropyridine (CID 106735269) is 5-(2-tert-butylsulfonylethoxy)-2-chloropyridine.
What is the SMILES notation for 5-(2-tert-butylsulfonylethoxy)-2-chloropyridine?
The canonical SMILES for 5-(2-tert-butylsulfonylethoxy)-2-chloropyridine is CC(C)(C)S(=O)(=O)CCOc1ccc(Cl)nc1.
What is the InChIKey of 5-(2-tert-butylsulfonylethoxy)-2-chloropyridine?
The InChIKey is YJFMRPRYHPMZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-11(2,3)17(14,15)7-6-16-9-4-5-10(12)13-8-9/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 5-(2-tert-butylsulfonylethoxy)-2-chloropyridine?
5-(2-tert-butylsulfonylethoxy)-2-chloropyridine has a molecular weight of 277.77 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butylsulfonylethoxy)-2-chloropyridine is sourced from PubChem (CID 106735269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).