4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine

C19H22FNO3S — CID 171678466

IUPAC4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C19H22FNO3S/c1-14-13-18(24-2)7-8-19(14)25(22,23)21-11-9-16(10-12-21)15-3-5-17(20)6-4-15/h3-8,13,16H,9-12H2,1-2H3
InChIKeyFHOSYZIYMQJHOK-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.71
Rot. Bonds4

About 4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine

4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine (PubChem CID 171678466) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
PubChem CID171678466
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C19H22FNO3S/c1-14-13-18(24-2)7-8-19(14)25(22,23)21-11-9-16(10-12-21)15-3-5-17(20)6-4-15/h3-8,13,16H,9-12H2,1-2H3
InChIKeyFHOSYZIYMQJHOK-UHFFFAOYSA-N
XLogP3.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 90589883
1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084236
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084274
3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine
CID 110663893
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 51055229
5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129346768
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 119981951
1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine
CID 110357844
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
CID 75932086
4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110358902
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine (CID 171678466) is 4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine is COc1ccc(S(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)c(C)c1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
The InChIKey is FHOSYZIYMQJHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-14-13-18(24-2)7-8-19(14)25(22,23)21-11-9-16(10-12-21)15-3-5-17(20)6-4-15/h3-8,13,16H,9-12H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine has a molecular weight of 363.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 171678466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).