4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine

C19H20ClF2NO2S — CID 11825520

IUPAC4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H20ClF2NO2S/c20-15-2-5-17(6-3-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-4-16(21)13-19(14)22/h1-6,13,18H,7-12H2
InChIKeyBXUOVUWILQWARZ-UHFFFAOYSA-N
MW399.89 g/mol
LogP4.10
Rot. Bonds5

About 4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine

4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine (PubChem CID 11825520) has the molecular formula C19H20ClF2NO2S and a molecular weight of 399.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine
PubChem CID11825520
Molecular FormulaC19H20ClF2NO2S
Molecular Weight399.89 g/mol
Exact Mass399.09
IUPAC Name4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H20ClF2NO2S/c20-15-2-5-17(6-3-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-4-16(21)13-19(14)22/h1-6,13,18H,7-12H2
InChIKeyBXUOVUWILQWARZ-UHFFFAOYSA-N
XLogP4.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.89
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine;hydrochloride
CID 141037006
1-[2-(2,4-difluorophenyl)ethyl]-4-[4-(tetrazol-1-ylmethyl)phenyl]sulfonylpiperidine
CID 23499475
2-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]sulfonylphenol;hydrochloride
CID 141037088
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine
CID 152771033
1-[2-(2,4-difluorophenyl)ethyl]-3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine;hydrochloride
CID 11654750
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840
3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine
CID 90587931
4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine
CID 174897155
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone
CID 67170382
4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 141037067
1-(5-chloro-2-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808843

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine (CID 11825520) is 4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine is O=S(=O)(c1ccc(Cl)cc1)C1CCN(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine?
The InChIKey is BXUOVUWILQWARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2NO2S/c20-15-2-5-17(6-3-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-4-16(21)13-19(14)22/h1-6,13,18H,7-12H2.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine?
4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine has a molecular weight of 399.89 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine is sourced from PubChem (CID 11825520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).