azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone

C15H19ClN2O3S — CID 7999036

IUPACazetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC1
InChIInChI=1S/C15H19ClN2O3S/c16-13-2-4-14(5-3-13)22(20,21)18-10-6-12(7-11-18)15(19)17-8-1-9-17/h2-5,12H,1,6-11H2
InChIKeyOUSGCNURINLXST-UHFFFAOYSA-N
MW342.85 g/mol
LogP1.97
Rot. Bonds3

About azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone

azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 7999036) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID7999036
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC Nameazetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC1
InChIInChI=1S/C15H19ClN2O3S/c16-13-2-4-14(5-3-13)22(20,21)18-10-6-12(7-11-18)15(19)17-8-1-9-17/h2-5,12H,1,6-11H2
InChIKeyOUSGCNURINLXST-UHFFFAOYSA-N
XLogP1.97
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 804119
1-{2-[(4-Chlorophenyl)sulfonyl]ethyl}piperidine-4-carboxamide
CID 2821923
{1-[(4-Chlorophenyl)sulfonyl]piperidin-3-yl}(4-methylpiperazin-1-yl)methanone
CID 2930578
[1-(2,6-Dichlorophenyl)sulfonylpiperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 17533389
Azocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 24980373
1-[(4-Chlorophenyl)sulfonyl]piperidine-4-carbohydrazide
CID 580731
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
CID 856925
[1-(4-Chloro-benzenesulfonyl)-piperidin-4-yl]-pyrrolidin-1-yl-methanone
CID 3155582
[1-(4-Chlorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3156746
[1-(2,6-Dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4788666
[1-(2,5-Dichloro-benzenesulfonyl)-piperidin-4-yl]-pyrrolidin-1-yl-methanone
CID 1003984
Ethyl 4-({1-[(4-chlorophenyl)sulfonyl]piperidin-4-yl}carbonyl)piperazine-1-carboxylate
CID 2920802

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone (CID 7999036) is azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone is O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC1.
What is the InChIKey of azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is OUSGCNURINLXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c16-13-2-4-14(5-3-13)22(20,21)18-10-6-12(7-11-18)15(19)17-8-1-9-17/h2-5,12H,1,6-11H2.
What are the key properties of azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone?
azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 342.85 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 7999036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).