3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine

C16H18N2O2S — CID 2738278

IUPAC3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCCC2c2cccnc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-13-6-8-15(9-7-13)21(19,20)18-11-3-5-16(18)14-4-2-10-17-12-14/h2,4,6-10,12,16H,3,5,11H2,1H3
InChIKeyJZWZRZYTVFZHIA-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.92
Rot. Bonds3

About 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine

3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 2738278) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID2738278
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCCC2c2cccnc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-13-6-8-15(9-7-13)21(19,20)18-11-3-5-16(18)14-4-2-10-17-12-14/h2,4,6-10,12,16H,3,5,11H2,1H3
InChIKeyJZWZRZYTVFZHIA-UHFFFAOYSA-N
XLogP2.92
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine (CID 2738278) is 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine is Cc1ccc(S(=O)(=O)N2CCCC2c2cccnc2)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is JZWZRZYTVFZHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-13-6-8-15(9-7-13)21(19,20)18-11-3-5-16(18)14-4-2-10-17-12-14/h2,4,6-10,12,16H,3,5,11H2,1H3.
What are the key properties of 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 302.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 2738278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).