2-[[4-(2,2-dichlorocyclopropyl)phenyl]methylsulfonyl]pyridine

C15H13Cl2NO2S — CID 21438612

IUPAC2-[[4-(2,2-dichlorocyclopropyl)phenyl]methylsulfonyl]pyridine
SMILESO=S(=O)(Cc1ccc(C2CC2(Cl)Cl)cc1)c1ccccn1
InChIInChI=1S/C15H13Cl2NO2S/c16-15(17)9-13(15)12-6-4-11(5-7-12)10-21(19,20)14-3-1-2-8-18-14/h1-8,13H,9-10H2
InChIKeyLUWBDNJBPNCAMI-UHFFFAOYSA-N
MW342.25 g/mol
LogP3.72
Rot. Bonds4

About 2-[[4-(2,2-dichlorocyclopropyl)phenyl]methylsulfonyl]pyridine

2-[[4-(2,2-dichlorocyclopropyl)phenyl]methylsulfonyl]pyridine (PubChem CID 21438612) has the molecular formula C15H13Cl2NO2S and a molecular weight of 342.25 g/mol. Its IUPAC name is 2-[[4-(2,2-dichlorocyclopropyl)phenyl]methylsulfonyl]pyridine.

Molecular Properties

Compound Name2-[[4-(2,2-dichlorocyclopropyl)phenyl]methylsulfonyl]pyridine
PubChem CID21438612
Molecular FormulaC15H13Cl2NO2S
Molecular Weight342.25 g/mol
Exact Mass341.00
IUPAC Name2-[[4-(2,2-dichlorocyclopropyl)phenyl]methylsulfonyl]pyridine
SMILESO=S(=O)(Cc1ccc(C2CC2(Cl)Cl)cc1)c1ccccn1
InChIInChI=1S/C15H13Cl2NO2S/c16-15(17)9-13(15)12-6-4-11(5-7-12)10-21(19,20)14-3-1-2-8-18-14/h1-8,13H,9-10H2
InChIKeyLUWBDNJBPNCAMI-UHFFFAOYSA-N
XLogP3.72
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 22764648
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2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
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2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine
CID 86068707
2-[(5-methylthiophen-2-yl)methylsulfonyl]pyridine
CID 23543367
2-but-3-ynylsulfonylpyridine
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2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine
CID 47038670
6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine
CID 27373507
2-(2-benzylsulfonylphenyl)pyridine
CID 102281426
3-pyridin-2-ylsulfonylpropan-1-ol
CID 54271342
N-methyl-2-pyridin-2-ylsulfonylethanamine
CID 71130386

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,2-dichlorocyclopropyl)phenyl]methylsulfonyl]pyridine?
The IUPAC name of 2-[[4-(2,2-dichlorocyclopropyl)phenyl]methylsulfonyl]pyridine (CID 21438612) is 2-[[4-(2,2-dichlorocyclopropyl)phenyl]methylsulfonyl]pyridine.
What is the SMILES notation for 2-[[4-(2,2-dichlorocyclopropyl)phenyl]methylsulfonyl]pyridine?
The canonical SMILES for 2-[[4-(2,2-dichlorocyclopropyl)phenyl]methylsulfonyl]pyridine is O=S(=O)(Cc1ccc(C2CC2(Cl)Cl)cc1)c1ccccn1.
What is the InChIKey of 2-[[4-(2,2-dichlorocyclopropyl)phenyl]methylsulfonyl]pyridine?
The InChIKey is LUWBDNJBPNCAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2S/c16-15(17)9-13(15)12-6-4-11(5-7-12)10-21(19,20)14-3-1-2-8-18-14/h1-8,13H,9-10H2.
What are the key properties of 2-[[4-(2,2-dichlorocyclopropyl)phenyl]methylsulfonyl]pyridine?
2-[[4-(2,2-dichlorocyclopropyl)phenyl]methylsulfonyl]pyridine has a molecular weight of 342.25 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,2-dichlorocyclopropyl)phenyl]methylsulfonyl]pyridine is sourced from PubChem (CID 21438612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).