1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine

C21H26FNO4S2 — CID 90589889

IUPAC1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H26FNO4S2/c1-21(2,3)16-4-8-20(9-5-16)29(26,27)23-14-12-19(13-15-23)28(24,25)18-10-6-17(22)7-11-18/h4-11,19H,12-15H2,1-3H3
InChIKeyDTAUSJOWWSYTSZ-UHFFFAOYSA-N
MW439.57 g/mol
LogP3.75
Rot. Bonds4

About 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine

1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine (PubChem CID 90589889) has the molecular formula C21H26FNO4S2 and a molecular weight of 439.57 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
PubChem CID90589889
Molecular FormulaC21H26FNO4S2
Molecular Weight439.57 g/mol
Exact Mass439.13
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H26FNO4S2/c1-21(2,3)16-4-8-20(9-5-16)29(26,27)23-14-12-19(13-15-23)28(24,25)18-10-6-17(22)7-11-18/h4-11,19H,12-15H2,1-3H3
InChIKeyDTAUSJOWWSYTSZ-UHFFFAOYSA-N
XLogP3.75
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.57
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840
1-tert-butyl-4-cyclopropylsulfonylbenzene
CID 117031985
(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589940
4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine
CID 90589932
4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 90589892
1-(5-chloro-2-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808843
4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 90589883
3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
CID 90587938

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine (CID 90589889) is 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine is CC(C)(C)c1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
The InChIKey is DTAUSJOWWSYTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO4S2/c1-21(2,3)16-4-8-20(9-5-16)29(26,27)23-14-12-19(13-15-23)28(24,25)18-10-6-17(22)7-11-18/h4-11,19H,12-15H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine has a molecular weight of 439.57 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 90589889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).