1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine

C17H17ClFNO4S2 — CID 90589924

IUPAC1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H17ClFNO4S2/c18-13-1-5-17(6-2-13)26(23,24)20-11-9-16(10-12-20)25(21,22)15-7-3-14(19)4-8-15/h1-8,16H,9-12H2
InChIKeyIGDVREOTMIPLHA-UHFFFAOYSA-N
MW417.91 g/mol
LogP3.11
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine

1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine (PubChem CID 90589924) has the molecular formula C17H17ClFNO4S2 and a molecular weight of 417.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
PubChem CID90589924
Molecular FormulaC17H17ClFNO4S2
Molecular Weight417.91 g/mol
Exact Mass417.03
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H17ClFNO4S2/c18-13-1-5-17(6-2-13)26(23,24)20-11-9-16(10-12-20)25(21,22)15-7-3-14(19)4-8-15/h1-8,16H,9-12H2
InChIKeyIGDVREOTMIPLHA-UHFFFAOYSA-N
XLogP3.11
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.91
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
CID 90587938
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589889
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840
4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531
1-(5-chloro-2-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808843
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589940
1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine
CID 4061277
(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919
1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine
CID 23028687
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine
CID 90589932

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine (CID 90589924) is 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
The InChIKey is IGDVREOTMIPLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO4S2/c18-13-1-5-17(6-2-13)26(23,24)20-11-9-16(10-12-20)25(21,22)15-7-3-14(19)4-8-15/h1-8,16H,9-12H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine has a molecular weight of 417.91 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 90589924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).