1-(4-fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine

C19H22FNO3S — CID 42844222

IUPAC1-(4-fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine
SMILESCc1ccccc1COC1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H22FNO3S/c1-15-5-2-3-6-16(15)14-24-18-7-4-12-21(13-18)25(22,23)19-10-8-17(20)9-11-19/h2-3,5-6,8-11,18H,4,7,12-14H2,1H3
InChIKeyLDRUAGBJBYGPLB-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.50
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine

1-(4-fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine (PubChem CID 42844222) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine
PubChem CID42844222
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine
SMILESCc1ccccc1COC1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H22FNO3S/c1-15-5-2-3-6-16(15)14-24-18-7-4-12-21(13-18)25(22,23)19-10-8-17(20)9-11-19/h2-3,5-6,8-11,18H,4,7,12-14H2,1H3
InChIKeyLDRUAGBJBYGPLB-UHFFFAOYSA-N
XLogP3.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine 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

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide
CID 2836278
1'-(benzenesulfonyl)-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 21512531
4-fluoro-N-(2-(2-phenylmorpholino)ethyl)benzenesulfonamide
CID 16892685
2,4-difluoro-N-(4-(2-phenylmorpholino)butyl)benzenesulfonamide
CID 16892888
4-((2,5-Difluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895232
4-((2-Fluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895234
4-((3-Chloro-4-fluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895243
4-((3-Fluoro-4-methoxyphenyl)sulfonyl)-2-phenylmorpholine
CID 16895256
2-(2-Phenylethyl)-4-(phenylsulfonyl)morpholine
CID 45199529
3-[(2-Chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine
CID 46153741
4-((Benzyloxy)methyl)-1-((2,6-difluorophenyl)sulfonyl)piperidine
CID 49677832
2-(4-Fluorophenyl)-4-tosylmorpholine
CID 42949939

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine (CID 42844222) is 1-(4-fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine is Cc1ccccc1COC1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine?
The InChIKey is LDRUAGBJBYGPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-15-5-2-3-6-16(15)14-24-18-7-4-12-21(13-18)25(22,23)19-10-8-17(20)9-11-19/h2-3,5-6,8-11,18H,4,7,12-14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine?
1-(4-fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine has a molecular weight of 363.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine is sourced from PubChem (CID 42844222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).