4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine

C20H24FNO5S2 — CID 90589892

IUPAC4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FNO5S2/c1-14-12-19(27-3)20(13-15(14)2)29(25,26)22-10-8-18(9-11-22)28(23,24)17-6-4-16(21)5-7-17/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyFQNBVDHXHSZSCG-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.08
Rot. Bonds5

About 4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine

4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine (PubChem CID 90589892) has the molecular formula C20H24FNO5S2 and a molecular weight of 441.55 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
PubChem CID90589892
Molecular FormulaC20H24FNO5S2
Molecular Weight441.55 g/mol
Exact Mass441.11
IUPAC Name4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FNO5S2/c1-14-12-19(27-3)20(13-15(14)2)29(25,26)22-10-8-18(9-11-22)28(23,24)17-6-4-16(21)5-7-17/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyFQNBVDHXHSZSCG-UHFFFAOYSA-N
XLogP3.08
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 90589883
1-(5-chloro-2-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808843
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840
2-(4-fluorophenyl)-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559494
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 6464219
3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
CID 90595191
1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113079942
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589889
4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine
CID 90589932
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590318
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine
CID 6463939

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine (CID 90589892) is 4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine is COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine?
The InChIKey is FQNBVDHXHSZSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO5S2/c1-14-12-19(27-3)20(13-15(14)2)29(25,26)22-10-8-18(9-11-22)28(23,24)17-6-4-16(21)5-7-17/h4-7,12-13,18H,8-11H2,1-3H3.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine?
4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine has a molecular weight of 441.55 g/mol, XLogP of 3.08, 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-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 90589892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).