4-(4-chloro-2-fluorophenyl)-1-[2-(2-methylphenyl)sulfonylphenyl]piperidine

C24H23ClFNO2S — CID 165388916

IUPAC4-(4-chloro-2-fluorophenyl)-1-[2-(2-methylphenyl)sulfonylphenyl]piperidine
SMILESCc1ccccc1S(=O)(=O)c1ccccc1N1CCC(c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C24H23ClFNO2S/c1-17-6-2-4-8-23(17)30(28,29)24-9-5-3-7-22(24)27-14-12-18(13-15-27)20-11-10-19(25)16-21(20)26/h2-11,16,18H,12-15H2,1H3
InChIKeyHUGRYIKRGZPKDA-UHFFFAOYSA-N
MW443.97 g/mol
LogP6.00
Rot. Bonds4

About 4-(4-chloro-2-fluorophenyl)-1-[2-(2-methylphenyl)sulfonylphenyl]piperidine

4-(4-chloro-2-fluorophenyl)-1-[2-(2-methylphenyl)sulfonylphenyl]piperidine (PubChem CID 165388916) has the molecular formula C24H23ClFNO2S and a molecular weight of 443.97 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-1-[2-(2-methylphenyl)sulfonylphenyl]piperidine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-1-[2-(2-methylphenyl)sulfonylphenyl]piperidine
PubChem CID165388916
Molecular FormulaC24H23ClFNO2S
Molecular Weight443.97 g/mol
Exact Mass443.11
IUPAC Name4-(4-chloro-2-fluorophenyl)-1-[2-(2-methylphenyl)sulfonylphenyl]piperidine
SMILESCc1ccccc1S(=O)(=O)c1ccccc1N1CCC(c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C24H23ClFNO2S/c1-17-6-2-4-8-23(17)30(28,29)24-9-5-3-7-22(24)27-14-12-18(13-15-27)20-11-10-19(25)16-21(20)26/h2-11,16,18H,12-15H2,1H3
InChIKeyHUGRYIKRGZPKDA-UHFFFAOYSA-N
XLogP6.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.97
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine
CID 156503555
4-[2-[4-(4-chloro-2-fluorophenyl)piperidin-1-yl]phenyl]sulfinyl-N,N-dimethylbenzenesulfonamide
CID 156503450
2-[2-(5-chloro-2-methylphenyl)sulfonyl-6-fluorophenyl]-1,3-dioxolane
CID 152671498
4-chloro-1-cyclopentyl-2-fluorobenzene
CID 66685145
4-[[3-[4-(4-chloro-2-fluorophenyl)piperidin-1-yl]-1,2,4-triazol-1-yl]sulfonyl]-N,N-dimethylbenzenesulfonamide
CID 156503492
2-[4-[1-(5-chloro-2-fluoro-4-methylphenyl)piperidin-4-yl]-5-fluoro-2-methoxyphenyl]isoindole-1,3-dione
CID 176931879
4-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazol-5-amine
CID 156503629
[2-[5-(4-chloro-2-fluorophenyl)cyclononyl]phenyl]methyl methanesulfonate
CID 156796915
3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine
CID 71971828
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperidine-1-carboxylate
CID 58222053
1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 43453477
(2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500097

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-1-[2-(2-methylphenyl)sulfonylphenyl]piperidine?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-1-[2-(2-methylphenyl)sulfonylphenyl]piperidine (CID 165388916) is 4-(4-chloro-2-fluorophenyl)-1-[2-(2-methylphenyl)sulfonylphenyl]piperidine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-1-[2-(2-methylphenyl)sulfonylphenyl]piperidine?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-1-[2-(2-methylphenyl)sulfonylphenyl]piperidine is Cc1ccccc1S(=O)(=O)c1ccccc1N1CCC(c2ccc(Cl)cc2F)CC1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-1-[2-(2-methylphenyl)sulfonylphenyl]piperidine?
The InChIKey is HUGRYIKRGZPKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFNO2S/c1-17-6-2-4-8-23(17)30(28,29)24-9-5-3-7-22(24)27-14-12-18(13-15-27)20-11-10-19(25)16-21(20)26/h2-11,16,18H,12-15H2,1H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-1-[2-(2-methylphenyl)sulfonylphenyl]piperidine?
4-(4-chloro-2-fluorophenyl)-1-[2-(2-methylphenyl)sulfonylphenyl]piperidine has a molecular weight of 443.97 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-1-[2-(2-methylphenyl)sulfonylphenyl]piperidine is sourced from PubChem (CID 165388916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).