[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone

C22H24ClFN2O3S — CID 32847814

IUPAC[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C22H24ClFN2O3S/c23-18-7-11-20(12-8-18)30(28,29)25-13-1-3-17(15-25)22(27)26-14-2-4-21(26)16-5-9-19(24)10-6-16/h5-12,17,21H,1-4,13-15H2/t17-,21-/m1/s1
InChIKeyRANFWEPYJRWPNM-DYESRHJHSA-N
MW450.96 g/mol
LogP4.24
Rot. Bonds4

About [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone

[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 32847814) has the molecular formula C22H24ClFN2O3S and a molecular weight of 450.96 g/mol. Its IUPAC name is [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID32847814
Molecular FormulaC22H24ClFN2O3S
Molecular Weight450.96 g/mol
Exact Mass450.12
IUPAC Name[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C22H24ClFN2O3S/c23-18-7-11-20(12-8-18)30(28,29)25-13-1-3-17(15-25)22(27)26-14-2-4-21(26)16-5-9-19(24)10-6-16/h5-12,17,21H,1-4,13-15H2/t17-,21-/m1/s1
InChIKeyRANFWEPYJRWPNM-DYESRHJHSA-N
XLogP4.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.96
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
[2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 143847575
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 55406673
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987
[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 31314718
(3R)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-3-carboxamide
CID 1283960
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400137
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 55407096
[2-(4-chlorophenyl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 55427695
1-(4-chlorophenyl)sulfonyl-N-(3,5-difluorophenyl)piperidine-3-carboxamide
CID 24626184

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone (CID 32847814) is [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone is O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is RANFWEPYJRWPNM-DYESRHJHSA-N. The full InChI is InChI=1S/C22H24ClFN2O3S/c23-18-7-11-20(12-8-18)30(28,29)25-13-1-3-17(15-25)22(27)26-14-2-4-21(26)16-5-9-19(24)10-6-16/h5-12,17,21H,1-4,13-15H2/t17-,21-/m1/s1.
What are the key properties of [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 450.96 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 32847814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).