2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine

C23H24N2O3S — CID 146643179

IUPAC2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC(c3ccc(-c4ccccc4)cc3)CC2)cn1
InChIInChI=1S/C23H24N2O3S/c1-28-23-12-11-22(17-24-23)29(26,27)25-15-13-21(14-16-25)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-12,17,21H,13-16H2,1H3
InChIKeyUUEMZDMILLHCMR-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.33
Rot. Bonds5

About 2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine

2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine (PubChem CID 146643179) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine
PubChem CID146643179
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC(c3ccc(-c4ccccc4)cc3)CC2)cn1
InChIInChI=1S/C23H24N2O3S/c1-28-23-12-11-22(17-24-23)29(26,27)25-15-13-21(14-16-25)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-12,17,21H,13-16H2,1H3
InChIKeyUUEMZDMILLHCMR-UHFFFAOYSA-N
XLogP4.33
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012
1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one
CID 69088398
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine
CID 2538848
1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine
CID 53185153
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-4-phenylazepane
CID 133286681
[4-[1-(benzenesulfonyl)piperidin-4-yl]phenyl]boronic acid
CID 58343660
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
N-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 59679254
3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine
CID 175864648
1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
CID 146541445
1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 99803410

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine (CID 146643179) is 2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine is COc1ccc(S(=O)(=O)N2CCC(c3ccc(-c4ccccc4)cc3)CC2)cn1.
What is the InChIKey of 2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine?
The InChIKey is UUEMZDMILLHCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-28-23-12-11-22(17-24-23)29(26,27)25-15-13-21(14-16-25)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-12,17,21H,13-16H2,1H3.
What are the key properties of 2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine?
2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine has a molecular weight of 408.52 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 146643179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).