2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine

C17H21NO3S — CID 70906130

IUPAC2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine
SMILESCc1ccccc1C(C)(C)OCCS(=O)(=O)c1ccccn1
InChIInChI=1S/C17H21NO3S/c1-14-8-4-5-9-15(14)17(2,3)21-12-13-22(19,20)16-10-6-7-11-18-16/h4-11H,12-13H2,1-3H3
InChIKeyPVLOPNPIFPFQRM-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.12
Rot. Bonds6

About 2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine

2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine (PubChem CID 70906130) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine.

Molecular Properties

Compound Name2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine
PubChem CID70906130
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine
SMILESCc1ccccc1C(C)(C)OCCS(=O)(=O)c1ccccn1
InChIInChI=1S/C17H21NO3S/c1-14-8-4-5-9-15(14)17(2,3)21-12-13-22(19,20)16-10-6-7-11-18-16/h4-11H,12-13H2,1-3H3
InChIKeyPVLOPNPIFPFQRM-UHFFFAOYSA-N
XLogP3.12
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine?
The IUPAC name of 2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine (CID 70906130) is 2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine.
What is the SMILES notation for 2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine?
The canonical SMILES for 2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine is Cc1ccccc1C(C)(C)OCCS(=O)(=O)c1ccccn1.
What is the InChIKey of 2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine?
The InChIKey is PVLOPNPIFPFQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-14-8-4-5-9-15(14)17(2,3)21-12-13-22(19,20)16-10-6-7-11-18-16/h4-11H,12-13H2,1-3H3.
What are the key properties of 2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine?
2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine has a molecular weight of 319.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine is sourced from PubChem (CID 70906130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).