1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine

C15H21FN2O2S — CID 51892276

IUPAC1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
SMILESO=S(=O)(c1ccccc1F)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C15H21FN2O2S/c16-14-5-1-2-6-15(14)21(19,20)18-11-7-13(8-12-18)17-9-3-4-10-17/h1-2,5-6,13H,3-4,7-12H2
InChIKeyDXJGZYDHKGHDFV-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.07
Rot. Bonds3

About 1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine

1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine (PubChem CID 51892276) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
PubChem CID51892276
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
SMILESO=S(=O)(c1ccccc1F)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C15H21FN2O2S/c16-14-5-1-2-6-15(14)21(19,20)18-11-7-13(8-12-18)17-9-3-4-10-17/h1-2,5-6,13H,3-4,7-12H2
InChIKeyDXJGZYDHKGHDFV-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-cyclopentyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 45369149
1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine
CID 61046286
(4aS,8aS)-2-(2-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926572
3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 91815056
4-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 11950053
1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 47454432
4-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]morpholine;hydrochloride
CID 141183632
1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 61046329
N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27670600
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane
CID 62866197
3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991867

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine (CID 51892276) is 1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine is O=S(=O)(c1ccccc1F)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine?
The InChIKey is DXJGZYDHKGHDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c16-14-5-1-2-6-15(14)21(19,20)18-11-7-13(8-12-18)17-9-3-4-10-17/h1-2,5-6,13H,3-4,7-12H2.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine?
1-(2-fluorophenyl)sulfonyl-4-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-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 51892276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).