1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine

C17H16F3NO4S2 — CID 71808840

IUPAC1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H16F3NO4S2/c18-12-1-4-14(5-2-12)26(22,23)15-7-9-21(10-8-15)27(24,25)17-11-13(19)3-6-16(17)20/h1-6,11,15H,7-10H2
InChIKeyYAHIMRAGQKLYLA-UHFFFAOYSA-N
MW419.45 g/mol
LogP2.73
Rot. Bonds4

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

1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine (PubChem CID 71808840) has the molecular formula C17H16F3NO4S2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
PubChem CID71808840
Molecular FormulaC17H16F3NO4S2
Molecular Weight419.45 g/mol
Exact Mass419.05
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H16F3NO4S2/c18-12-1-4-14(5-2-12)26(22,23)15-7-9-21(10-8-15)27(24,25)17-11-13(19)3-6-16(17)20/h1-6,11,15H,7-10H2
InChIKeyYAHIMRAGQKLYLA-UHFFFAOYSA-N
XLogP2.73
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
1-(5-chloro-2-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808843
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 38257109
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589889
4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 90589892
4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 90589883
4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531
1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377890
3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160518
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589940
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592825
[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030656

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine (CID 71808840) is 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
The InChIKey is YAHIMRAGQKLYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4S2/c18-12-1-4-14(5-2-12)26(22,23)15-7-9-21(10-8-15)27(24,25)17-11-13(19)3-6-16(17)20/h1-6,11,15H,7-10H2.
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine has a molecular weight of 419.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 71808840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).