2,6-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide

C21H31Cl2N3O3S — CID 71720526

IUPAC2,6-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
SMILESCCCS(=O)(=O)N1CCN(C2(CNC(=O)c3c(Cl)cccc3Cl)CCCCC2)CC1
InChIInChI=1S/C21H31Cl2N3O3S/c1-2-15-30(28,29)26-13-11-25(12-14-26)21(9-4-3-5-10-21)16-24-20(27)19-17(22)7-6-8-18(19)23/h6-8H,2-5,9-16H2,1H3,(H,24,27)
InChIKeyVNRQMGBLGVTSBU-UHFFFAOYSA-N
MW476.47 g/mol
LogP3.78
Rot. Bonds7

About 2,6-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide

2,6-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide (PubChem CID 71720526) has the molecular formula C21H31Cl2N3O3S and a molecular weight of 476.47 g/mol. Its IUPAC name is 2,6-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
PubChem CID71720526
Molecular FormulaC21H31Cl2N3O3S
Molecular Weight476.47 g/mol
Exact Mass475.15
IUPAC Name2,6-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
SMILESCCCS(=O)(=O)N1CCN(C2(CNC(=O)c3c(Cl)cccc3Cl)CCCCC2)CC1
InChIInChI=1S/C21H31Cl2N3O3S/c1-2-15-30(28,29)26-13-11-25(12-14-26)21(9-4-3-5-10-21)16-24-20(27)19-17(22)7-6-8-18(19)23/h6-8H,2-5,9-16H2,1H3,(H,24,27)
InChIKeyVNRQMGBLGVTSBU-UHFFFAOYSA-N
XLogP3.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide 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 2,6-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide (CID 71720526) is 2,6-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide is CCCS(=O)(=O)N1CCN(C2(CNC(=O)c3c(Cl)cccc3Cl)CCCCC2)CC1.
What is the InChIKey of 2,6-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The InChIKey is VNRQMGBLGVTSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31Cl2N3O3S/c1-2-15-30(28,29)26-13-11-25(12-14-26)21(9-4-3-5-10-21)16-24-20(27)19-17(22)7-6-8-18(19)23/h6-8H,2-5,9-16H2,1H3,(H,24,27).
What are the key properties of 2,6-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
2,6-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide has a molecular weight of 476.47 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 71720526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).