1-[2-[2-(2H-pyridin-1-yl)ethylsulfonyl]ethyl]-2H-pyridine dichloride

C14H20Cl2N2O2S-2 — CID 57353455

IUPAC1-[2-[2-(2H-pyridin-1-yl)ethylsulfonyl]ethyl]-2H-pyridine dichloride
SMILESO=S(=O)(CCN1C=CC=CC1)CCN1C=CC=CC1.[Cl-].[Cl-]
InChIInChI=1S/C14H20N2O2S.2ClH/c17-19(18,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h1-7,9H,8,10-14H2;2*1H/p-2
InChIKeyCNSGEGOTRAGPEX-UHFFFAOYSA-L
MW351.30 g/mol
LogP-4.82
Rot. Bonds6

About 1-[2-[2-(2H-pyridin-1-yl)ethylsulfonyl]ethyl]-2H-pyridine dichloride

1-[2-[2-(2H-pyridin-1-yl)ethylsulfonyl]ethyl]-2H-pyridine dichloride (PubChem CID 57353455) has the molecular formula C14H20Cl2N2O2S-2 and a molecular weight of 351.30 g/mol. Its IUPAC name is 1-[2-[2-(2H-pyridin-1-yl)ethylsulfonyl]ethyl]-2H-pyridine dichloride.

Molecular Properties

Compound Name1-[2-[2-(2H-pyridin-1-yl)ethylsulfonyl]ethyl]-2H-pyridine dichloride
PubChem CID57353455
Molecular FormulaC14H20Cl2N2O2S-2
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name1-[2-[2-(2H-pyridin-1-yl)ethylsulfonyl]ethyl]-2H-pyridine dichloride
SMILESO=S(=O)(CCN1C=CC=CC1)CCN1C=CC=CC1.[Cl-].[Cl-]
InChIInChI=1S/C14H20N2O2S.2ClH/c17-19(18,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h1-7,9H,8,10-14H2;2*1H/p-2
InChIKeyCNSGEGOTRAGPEX-UHFFFAOYSA-L
XLogP-4.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 5-4.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2H-pyridin-1-yl)ethylsulfonyl]ethyl]-2H-pyridine dichloride?
The IUPAC name of 1-[2-[2-(2H-pyridin-1-yl)ethylsulfonyl]ethyl]-2H-pyridine dichloride (CID 57353455) is 1-[2-[2-(2H-pyridin-1-yl)ethylsulfonyl]ethyl]-2H-pyridine dichloride.
What is the SMILES notation for 1-[2-[2-(2H-pyridin-1-yl)ethylsulfonyl]ethyl]-2H-pyridine dichloride?
The canonical SMILES for 1-[2-[2-(2H-pyridin-1-yl)ethylsulfonyl]ethyl]-2H-pyridine dichloride is O=S(=O)(CCN1C=CC=CC1)CCN1C=CC=CC1.[Cl-].[Cl-].
What is the InChIKey of 1-[2-[2-(2H-pyridin-1-yl)ethylsulfonyl]ethyl]-2H-pyridine dichloride?
The InChIKey is CNSGEGOTRAGPEX-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H20N2O2S.2ClH/c17-19(18,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h1-7,9H,8,10-14H2;2*1H/p-2.
What are the key properties of 1-[2-[2-(2H-pyridin-1-yl)ethylsulfonyl]ethyl]-2H-pyridine dichloride?
1-[2-[2-(2H-pyridin-1-yl)ethylsulfonyl]ethyl]-2H-pyridine dichloride has a molecular weight of 351.30 g/mol, XLogP of -4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2H-pyridin-1-yl)ethylsulfonyl]ethyl]-2H-pyridine dichloride is sourced from PubChem (CID 57353455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).