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

C19H22FNO5S2 — CID 90589883

IUPAC4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C19H22FNO5S2/c1-14-13-16(26-2)5-8-19(14)28(24,25)21-11-9-18(10-12-21)27(22,23)17-6-3-15(20)4-7-17/h3-8,13,18H,9-12H2,1-2H3
InChIKeyNFCAMJUYZRTQMO-UHFFFAOYSA-N
MW427.52 g/mol
LogP2.77
Rot. Bonds5

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

4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine (PubChem CID 90589883) has the molecular formula C19H22FNO5S2 and a molecular weight of 427.52 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
PubChem CID90589883
Molecular FormulaC19H22FNO5S2
Molecular Weight427.52 g/mol
Exact Mass427.09
IUPAC Name4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C19H22FNO5S2/c1-14-13-16(26-2)5-8-19(14)28(24,25)21-11-9-18(10-12-21)27(22,23)17-6-3-15(20)4-7-17/h3-8,13,18H,9-12H2,1-2H3
InChIKeyNFCAMJUYZRTQMO-UHFFFAOYSA-N
XLogP2.77
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 90589892
4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 171678466
4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine
CID 90589932
1-(5-chloro-2-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808843
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589889
1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592043
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 119981951
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 113075257
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine (CID 90589883) is 4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine is COc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
The InChIKey is NFCAMJUYZRTQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO5S2/c1-14-13-16(26-2)5-8-19(14)28(24,25)21-11-9-18(10-12-21)27(22,23)17-6-3-15(20)4-7-17/h3-8,13,18H,9-12H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine has a molecular weight of 427.52 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 90589883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).