2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine

C18H20ClFN2O3S — CID 131944267

IUPAC2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine
SMILESCc1cc(S(=O)(=O)N2CCCC(OCc3ccccn3)C2)c(Cl)cc1F
InChIInChI=1S/C18H20ClFN2O3S/c1-13-9-18(16(19)10-17(13)20)26(23,24)22-8-4-6-15(11-22)25-12-14-5-2-3-7-21-14/h2-3,5,7,9-10,15H,4,6,8,11-12H2,1H3
InChIKeyVADJWBWJPXUDHW-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.55
Rot. Bonds5

About 2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine

2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine (PubChem CID 131944267) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine
PubChem CID131944267
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC Name2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine
SMILESCc1cc(S(=O)(=O)N2CCCC(OCc3ccccn3)C2)c(Cl)cc1F
InChIInChI=1S/C18H20ClFN2O3S/c1-13-9-18(16(19)10-17(13)20)26(23,24)22-8-4-6-15(11-22)25-12-14-5-2-3-7-21-14/h2-3,5,7,9-10,15H,4,6,8,11-12H2,1H3
InChIKeyVADJWBWJPXUDHW-UHFFFAOYSA-N
XLogP3.55
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine 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

5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 131912188
2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-3-yl]oxymethyl]pyridine
CID 131939168
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 119984302
[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971913
2-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine
CID 71846469
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018010
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978143
2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 120726940
2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine
CID 97018217
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977593
3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine
CID 72920740
2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
CID 56896073

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine?
The IUPAC name of 2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine (CID 131944267) is 2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine.
What is the SMILES notation for 2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine?
The canonical SMILES for 2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine is Cc1cc(S(=O)(=O)N2CCCC(OCc3ccccn3)C2)c(Cl)cc1F.
What is the InChIKey of 2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine?
The InChIKey is VADJWBWJPXUDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-13-9-18(16(19)10-17(13)20)26(23,24)22-8-4-6-15(11-22)25-12-14-5-2-3-7-21-14/h2-3,5,7,9-10,15H,4,6,8,11-12H2,1H3.
What are the key properties of 2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine?
2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine has a molecular weight of 398.89 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine is sourced from PubChem (CID 131944267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).