1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine

C15H21FN2O2S — CID 61046286

IUPAC1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine
SMILESO=S(=O)(c1ccccc1F)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C15H21FN2O2S/c16-14-7-1-2-8-15(14)21(19,20)18-11-5-6-13(12-18)17-9-3-4-10-17/h1-2,7-8,13H,3-6,9-12H2
InChIKeyIPGLURUDWNNQOA-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.07
Rot. Bonds3

About 1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine

1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine (PubChem CID 61046286) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine
PubChem CID61046286
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine
SMILESO=S(=O)(c1ccccc1F)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C15H21FN2O2S/c16-14-7-1-2-8-15(14)21(19,20)18-11-5-6-13(12-18)17-9-3-4-10-17/h1-2,7-8,13H,3-6,9-12H2
InChIKeyIPGLURUDWNNQOA-UHFFFAOYSA-N
XLogP2.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 51892276
1-[1-(2-methylsulfonylphenyl)sulfonylpiperidin-3-yl]azepane
CID 86900577
1-cyclopentyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 45369149
3-(chloromethyl)-1-(2-fluorophenyl)sulfonylpiperidine
CID 55188405
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)benzoic acid
CID 60952156
(4aS,8aS)-2-(2-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926572
1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]azepane
CID 86900548
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)phenyl]methanol
CID 79937246
2-(benzenesulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 6465871
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol
CID 79935876
3-fluoro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 63168396
1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 86972427

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine (CID 61046286) is 1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine is O=S(=O)(c1ccccc1F)N1CCCC(N2CCCC2)C1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine?
The InChIKey is IPGLURUDWNNQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c16-14-7-1-2-8-15(14)21(19,20)18-11-5-6-13(12-18)17-9-3-4-10-17/h1-2,7-8,13H,3-6,9-12H2.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine?
1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine has a molecular weight of 312.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 61046286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).