1-(4-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine

C15H21FN2O2S — CID 42855227

IUPAC1-(4-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C15H21FN2O2S/c16-13-5-7-15(8-6-13)21(19,20)18-11-3-4-14(12-18)17-9-1-2-10-17/h5-8,14H,1-4,9-12H2
InChIKeyBSTPJXCLLSYQPA-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.07
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine

1-(4-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine (PubChem CID 42855227) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine
PubChem CID42855227
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C15H21FN2O2S/c16-13-5-7-15(8-6-13)21(19,20)18-11-3-4-14(12-18)17-9-1-2-10-17/h5-8,14H,1-4,9-12H2
InChIKeyBSTPJXCLLSYQPA-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine (CID 42855227) is 1-(4-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine is O=S(=O)(c1ccc(F)cc1)N1CCCC(N2CCCC2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine?
The InChIKey is BSTPJXCLLSYQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c16-13-5-7-15(8-6-13)21(19,20)18-11-3-4-14(12-18)17-9-1-2-10-17/h5-8,14H,1-4,9-12H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine?
1-(4-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-(4-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 42855227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).