azocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone

C19H26Cl2N2O3S — CID 24980373

IUPACazocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCCCCCC1
InChIInChI=1S/C19H26Cl2N2O3S/c20-16-7-6-8-17(21)18(16)27(25,26)23-13-9-15(10-14-23)19(24)22-11-4-2-1-3-5-12-22/h6-8,15H,1-5,9-14H2
InChIKeyAZJWBKOOODJTBL-UHFFFAOYSA-N
MW433.40 g/mol
LogP4.19
Rot. Bonds3

About azocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone

azocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 24980373) has the molecular formula C19H26Cl2N2O3S and a molecular weight of 433.40 g/mol. Its IUPAC name is azocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID24980373
Molecular FormulaC19H26Cl2N2O3S
Molecular Weight433.40 g/mol
Exact Mass432.10
IUPAC Nameazocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCCCCCC1
InChIInChI=1S/C19H26Cl2N2O3S/c20-16-7-6-8-17(21)18(16)27(25,26)23-13-9-15(10-14-23)19(24)22-11-4-2-1-3-5-12-22/h6-8,15H,1-5,9-14H2
InChIKeyAZJWBKOOODJTBL-UHFFFAOYSA-N
XLogP4.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze azocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of azocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone (CID 24980373) is azocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for azocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for azocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone is O=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is AZJWBKOOODJTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N2O3S/c20-16-7-6-8-17(21)18(16)27(25,26)23-13-9-15(10-14-23)19(24)22-11-4-2-1-3-5-12-22/h6-8,15H,1-5,9-14H2.
What are the key properties of azocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone?
azocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 433.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 24980373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).