[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone

C18H22ClF3N2O3S — CID 1231349

IUPAC[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C18H22ClF3N2O3S/c19-15-5-7-16(8-6-15)28(26,27)24-10-1-3-13(11-24)17(25)23-9-2-4-14(12-23)18(20,21)22/h5-8,13-14H,1-4,9-12H2/t13-,14-/m0/s1
InChIKeyRYUCKNKFMZQXEV-KBPBESRZSA-N
MW438.90 g/mol
LogP3.54
Rot. Bonds3

About [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone

[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 1231349) has the molecular formula C18H22ClF3N2O3S and a molecular weight of 438.90 g/mol. Its IUPAC name is [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID1231349
Molecular FormulaC18H22ClF3N2O3S
Molecular Weight438.90 g/mol
Exact Mass438.10
IUPAC Name[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C18H22ClF3N2O3S/c19-15-5-7-16(8-6-15)28(26,27)24-10-1-3-13(11-24)17(25)23-9-2-4-14(12-23)18(20,21)22/h5-8,13-14H,1-4,9-12H2/t13-,14-/m0/s1
InChIKeyRYUCKNKFMZQXEV-KBPBESRZSA-N
XLogP3.54
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.90
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100675172
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
[1-(3-bromophenyl)sulfonylpyrrolidin-3-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 175666716
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 31640784
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987
ethyl 4-[(3R)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 98670288
N,N-diethyl-4-[(3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365279
1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 47140984
azepan-1-yl-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 41302489
(3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1078490
[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 55406673

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 1231349) is [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone is O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is RYUCKNKFMZQXEV-KBPBESRZSA-N. The full InChI is InChI=1S/C18H22ClF3N2O3S/c19-15-5-7-16(8-6-15)28(26,27)24-10-1-3-13(11-24)17(25)23-9-2-4-14(12-23)18(20,21)22/h5-8,13-14H,1-4,9-12H2/t13-,14-/m0/s1.
What are the key properties of [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 438.90 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 1231349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).