3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine

C17H18ClFN2O3S — CID 122243535

IUPAC3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine
SMILESO=S(=O)(Cc1ccccc1F)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C17H18ClFN2O3S/c18-15-10-20-8-7-17(15)24-14-5-3-9-21(11-14)25(22,23)12-13-4-1-2-6-16(13)19/h1-2,4,6-8,10,14H,3,5,9,11-12H2
InChIKeyVGKNBFZGMGLFSO-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.25
Rot. Bonds5

About 3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine

3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine (PubChem CID 122243535) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine
PubChem CID122243535
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine
SMILESO=S(=O)(Cc1ccccc1F)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C17H18ClFN2O3S/c18-15-10-20-8-7-17(15)24-14-5-3-9-21(11-14)25(22,23)12-13-4-1-2-6-16(13)19/h1-2,4,6-8,10,14H,3,5,9,11-12H2
InChIKeyVGKNBFZGMGLFSO-UHFFFAOYSA-N
XLogP3.25
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine
CID 122256501
2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150775
3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine
CID 122256548
1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone
CID 122256534
3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine
CID 119100292
3-(4-chlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]azepane
CID 121146847
1-[(4-chloro-2-fluorophenyl)methylsulfonyl]-3-methoxypiperidine
CID 131915808
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-3-phenylpropan-1-one
CID 122256256
2-(1-benzylsulfonylpiperidin-3-yl)oxy-5-chloropyrimidine
CID 122259616
4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine
CID 122256039
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone
CID 122256170

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine?
The IUPAC name of 3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine (CID 122243535) is 3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine.
What is the SMILES notation for 3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine?
The canonical SMILES for 3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine is O=S(=O)(Cc1ccccc1F)N1CCCC(Oc2ccncc2Cl)C1.
What is the InChIKey of 3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine?
The InChIKey is VGKNBFZGMGLFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c18-15-10-20-8-7-17(15)24-14-5-3-9-21(11-14)25(22,23)12-13-4-1-2-6-16(13)19/h1-2,4,6-8,10,14H,3,5,9,11-12H2.
What are the key properties of 3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine?
3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine has a molecular weight of 384.86 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine is sourced from PubChem (CID 122243535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).