1-naphthalen-2-ylsulfonyl-4-phenyl-3,6-dihydro-2H-pyridine

C21H19NO2S — CID 2738343

IUPAC1-naphthalen-2-ylsulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H19NO2S/c23-25(24,21-11-10-18-8-4-5-9-20(18)16-21)22-14-12-19(13-15-22)17-6-2-1-3-7-17/h1-12,16H,13-15H2
InChIKeyYAAHSXLMTCZDEI-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.32
Rot. Bonds3

About 1-naphthalen-2-ylsulfonyl-4-phenyl-3,6-dihydro-2H-pyridine

1-naphthalen-2-ylsulfonyl-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 2738343) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID2738343
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC Name1-naphthalen-2-ylsulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H19NO2S/c23-25(24,21-11-10-18-8-4-5-9-20(18)16-21)22-14-12-19(13-15-22)17-6-2-1-3-7-17/h1-12,16H,13-15H2
InChIKeyYAAHSXLMTCZDEI-UHFFFAOYSA-N
XLogP4.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-4-phenyl-3,6-dihydro-2H-pyridine (CID 2738343) is 1-naphthalen-2-ylsulfonyl-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-4-phenyl-3,6-dihydro-2H-pyridine is O=S(=O)(c1ccc2ccccc2c1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is YAAHSXLMTCZDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c23-25(24,21-11-10-18-8-4-5-9-20(18)16-21)22-14-12-19(13-15-22)17-6-2-1-3-7-17/h1-12,16H,13-15H2.
What are the key properties of 1-naphthalen-2-ylsulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
1-naphthalen-2-ylsulfonyl-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 349.46 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 2738343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).