4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine

C18H20N2O3S — CID 126841087

IUPAC4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine
SMILESO=S(=O)(c1cccc2c1OCC2)N1CCCC(c2ccncc2)C1
InChIInChI=1S/C18H20N2O3S/c21-24(22,17-5-1-3-15-8-12-23-18(15)17)20-11-2-4-16(13-20)14-6-9-19-10-7-14/h1,3,5-7,9-10,16H,2,4,8,11-13H2
InChIKeyANPXTPZOIOOQRU-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.58
Rot. Bonds3

About 4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine

4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine (PubChem CID 126841087) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine.

Molecular Properties

Compound Name4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine
PubChem CID126841087
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine
SMILESO=S(=O)(c1cccc2c1OCC2)N1CCCC(c2ccncc2)C1
InChIInChI=1S/C18H20N2O3S/c21-24(22,17-5-1-3-15-8-12-23-18(15)17)20-11-2-4-16(13-20)14-6-9-19-10-7-14/h1,3,5-7,9-10,16H,2,4,8,11-13H2
InChIKeyANPXTPZOIOOQRU-UHFFFAOYSA-N
XLogP2.58
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)morpholine-2-carboxylic acid
CID 136548425
2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol
CID 155953521
1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidine-4-carboxylic acid
CID 122101452
1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 139013799
2-[(2S,6R)-4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-2,6-dimethylpiperazin-1-yl]ethanol
CID 139013798
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-phenylazepane
CID 121146254
N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 125421289
2-[3-(4-carboxyphenyl)piperidin-1-yl]sulfonylbenzoic acid
CID 72878133
N-(3,4-dihydro-2H-chromen-8-yl)-4-pyridin-4-ylpiperidine-1-carboxamide
CID 129353324
4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole
CID 22585591
4-[1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperidin-4-yl]pyrimidine
CID 128777201
4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine
CID 122256039

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine?
The IUPAC name of 4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine (CID 126841087) is 4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine.
What is the SMILES notation for 4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine?
The canonical SMILES for 4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine is O=S(=O)(c1cccc2c1OCC2)N1CCCC(c2ccncc2)C1.
What is the InChIKey of 4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine?
The InChIKey is ANPXTPZOIOOQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-24(22,17-5-1-3-15-8-12-23-18(15)17)20-11-2-4-16(13-20)14-6-9-19-10-7-14/h1,3,5-7,9-10,16H,2,4,8,11-13H2.
What are the key properties of 4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine?
4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine has a molecular weight of 344.44 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine is sourced from PubChem (CID 126841087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).