3,5-dichloro-2-[[4-(methoxymethyl)phenyl]sulfonylmethyl]pyridine

C14H13Cl2NO3S — CID 86795275

IUPAC3,5-dichloro-2-[[4-(methoxymethyl)phenyl]sulfonylmethyl]pyridine
SMILESCOCc1ccc(S(=O)(=O)Cc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H13Cl2NO3S/c1-20-8-10-2-4-12(5-3-10)21(18,19)9-14-13(16)6-11(15)7-17-14/h2-7H,8-9H2,1H3
InChIKeyDIXIRONNLZDLKK-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.51
Rot. Bonds5

About 3,5-dichloro-2-[[4-(methoxymethyl)phenyl]sulfonylmethyl]pyridine

3,5-dichloro-2-[[4-(methoxymethyl)phenyl]sulfonylmethyl]pyridine (PubChem CID 86795275) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is 3,5-dichloro-2-[[4-(methoxymethyl)phenyl]sulfonylmethyl]pyridine.

Molecular Properties

Compound Name3,5-dichloro-2-[[4-(methoxymethyl)phenyl]sulfonylmethyl]pyridine
PubChem CID86795275
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name3,5-dichloro-2-[[4-(methoxymethyl)phenyl]sulfonylmethyl]pyridine
SMILESCOCc1ccc(S(=O)(=O)Cc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H13Cl2NO3S/c1-20-8-10-2-4-12(5-3-10)21(18,19)9-14-13(16)6-11(15)7-17-14/h2-7H,8-9H2,1H3
InChIKeyDIXIRONNLZDLKK-UHFFFAOYSA-N
XLogP3.51
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 118434231
3-chloro-2-(4-methyl-4-((3-(trifluoromethyl)phenyl)-sulfonyl)tetrahydro-2H-pyran-2-yl)-5-(methylsulfonyl)pyridine
CID 118434247
3-Chloro-5-methylsulfinyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 118434250
5-Chloro-3-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 118434262
3-chloro-2-(4-methyl-4-((3-(trifluoromethyl)phenyl)sulfonyl)tetrahydro-2H-pyran-2-yl)-5-(methylthio)pyridine
CID 118434289
5-Chloro-2-[4-methyl-4-[[3-(trifluoromethyl)phenyl]sulfonyl]-tetrahydro-pyran-2-yl]-pyridine
CID 118434331
3-Chloro-5-(difluoromethyl)-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 118434346
3-Chloro-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]-5-(trifluoromethyl)pyridine
CID 118434347
3-Chloro-2-[4-[3-(difluoromethyl)phenyl]sulfonyl-4-methyloxan-2-yl]-5-methylsulfonylpyridine
CID 118434351
5-chloro-2-(4-((3-(trifluoromethyl)phenyl)sulfonyl)tetrahydro-2H-pyran-2-yl)pyridine
CID 118434371
3-Chloro-2-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-5-(trifluoromethyl)pyridine
CID 118445082
3-Chloro-5-(difluoromethyl)-2-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]pyridine
CID 118445085

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[[4-(methoxymethyl)phenyl]sulfonylmethyl]pyridine?
The IUPAC name of 3,5-dichloro-2-[[4-(methoxymethyl)phenyl]sulfonylmethyl]pyridine (CID 86795275) is 3,5-dichloro-2-[[4-(methoxymethyl)phenyl]sulfonylmethyl]pyridine.
What is the SMILES notation for 3,5-dichloro-2-[[4-(methoxymethyl)phenyl]sulfonylmethyl]pyridine?
The canonical SMILES for 3,5-dichloro-2-[[4-(methoxymethyl)phenyl]sulfonylmethyl]pyridine is COCc1ccc(S(=O)(=O)Cc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of 3,5-dichloro-2-[[4-(methoxymethyl)phenyl]sulfonylmethyl]pyridine?
The InChIKey is DIXIRONNLZDLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c1-20-8-10-2-4-12(5-3-10)21(18,19)9-14-13(16)6-11(15)7-17-14/h2-7H,8-9H2,1H3.
What are the key properties of 3,5-dichloro-2-[[4-(methoxymethyl)phenyl]sulfonylmethyl]pyridine?
3,5-dichloro-2-[[4-(methoxymethyl)phenyl]sulfonylmethyl]pyridine has a molecular weight of 346.24 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[[4-(methoxymethyl)phenyl]sulfonylmethyl]pyridine is sourced from PubChem (CID 86795275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).