2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine

C14H15NO4S2 — CID 21438617

IUPAC2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine
SMILESCC(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C14H15NO4S2/c1-11(21(18,19)14-5-3-4-10-15-14)12-6-8-13(9-7-12)20(2,16)17/h3-11H,1-2H3
InChIKeyYAHOLDBGMGCKPD-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.02
Rot. Bonds4

About 2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine

2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine (PubChem CID 21438617) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine.

Molecular Properties

Compound Name2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine
PubChem CID21438617
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine
SMILESCC(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C14H15NO4S2/c1-11(21(18,19)14-5-3-4-10-15-14)12-6-8-13(9-7-12)20(2,16)17/h3-11H,1-2H3
InChIKeyYAHOLDBGMGCKPD-UHFFFAOYSA-N
XLogP2.02
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine?
The IUPAC name of 2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine (CID 21438617) is 2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine.
What is the SMILES notation for 2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine?
The canonical SMILES for 2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine is CC(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccccn1.
What is the InChIKey of 2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine?
The InChIKey is YAHOLDBGMGCKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-11(21(18,19)14-5-3-4-10-15-14)12-6-8-13(9-7-12)20(2,16)17/h3-11H,1-2H3.
What are the key properties of 2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine?
2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine has a molecular weight of 325.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine is sourced from PubChem (CID 21438617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).