2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine

C20H21ClN4O2S — CID 95810668

IUPAC2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
SMILESCn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)c1
InChIInChI=1S/C20H21ClN4O2S/c1-24-13-20(22-14-24)28(26,27)25-10-4-6-16(12-25)19-9-3-8-18(23-19)15-5-2-7-17(21)11-15/h2-3,5,7-9,11,13-14,16H,4,6,10,12H2,1H3/t16-/m0/s1
InChIKeyNTCUIDMZYMQQGW-INIZCTEOSA-N
MW416.93 g/mol
LogP3.70
Rot. Bonds4

About 2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine

2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine (PubChem CID 95810668) has the molecular formula C20H21ClN4O2S and a molecular weight of 416.93 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
PubChem CID95810668
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.93 g/mol
Exact Mass416.11
IUPAC Name2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
SMILESCn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)c1
InChIInChI=1S/C20H21ClN4O2S/c1-24-13-20(22-14-24)28(26,27)25-10-4-6-16(12-25)19-9-3-8-18(23-19)15-5-2-7-17(21)11-15/h2-3,5,7-9,11,13-14,16H,4,6,10,12H2,1H3/t16-/m0/s1
InChIKeyNTCUIDMZYMQQGW-INIZCTEOSA-N
XLogP3.70
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249966
3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide
CID 110249975
2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810657
5-[(3-chlorophenyl)methyl]-2-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole
CID 124952542
[6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 95817675
6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110254342
2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110249421
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110249855
6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 124983935
N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine
CID 110088790
5-methyl-4-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine
CID 95824666
2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole
CID 125021411

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine?
The IUPAC name of 2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine (CID 95810668) is 2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine.
What is the SMILES notation for 2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine?
The canonical SMILES for 2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine is Cn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine?
The InChIKey is NTCUIDMZYMQQGW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21ClN4O2S/c1-24-13-20(22-14-24)28(26,27)25-10-4-6-16(12-25)19-9-3-8-18(23-19)15-5-2-7-17(21)11-15/h2-3,5,7-9,11,13-14,16H,4,6,10,12H2,1H3/t16-/m0/s1.
What are the key properties of 2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine?
2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine has a molecular weight of 416.93 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine is sourced from PubChem (CID 95810668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).