1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine

C19H22FNO5S — CID 110396998

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C19H22FNO5S/c1-24-18-8-7-17(13-19(18)25-2)27(22,23)21-11-9-16(10-12-21)26-15-5-3-14(20)4-6-15/h3-8,13,16H,9-12H2,1-2H3
InChIKeyBWUJXAUQHPRNMR-UHFFFAOYSA-N
MW395.45 g/mol
LogP3.08
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine

1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine (PubChem CID 110396998) has the molecular formula C19H22FNO5S and a molecular weight of 395.45 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine
PubChem CID110396998
Molecular FormulaC19H22FNO5S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C19H22FNO5S/c1-24-18-8-7-17(13-19(18)25-2)27(22,23)21-11-9-16(10-12-21)26-15-5-3-14(20)4-6-15/h3-8,13,16H,9-12H2,1-2H3
InChIKeyBWUJXAUQHPRNMR-UHFFFAOYSA-N
XLogP3.08
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium
CID 9435660
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585253
4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629242
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396981
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine
CID 55476665
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylpropyl)piperidine
CID 171593389
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617490
1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine
CID 121165181

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine (CID 110396998) is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine is COc1ccc(S(=O)(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine?
The InChIKey is BWUJXAUQHPRNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO5S/c1-24-18-8-7-17(13-19(18)25-2)27(22,23)21-11-9-16(10-12-21)26-15-5-3-14(20)4-6-15/h3-8,13,16H,9-12H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine?
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine has a molecular weight of 395.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine is sourced from PubChem (CID 110396998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).