2,4-dichloro-N-[phenyl-(1-propylsulfonylpiperidin-4-yl)methyl]benzamide

C22H26Cl2N2O3S — CID 46938091

IUPAC2,4-dichloro-N-[phenyl-(1-propylsulfonylpiperidin-4-yl)methyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)CC1
InChIInChI=1S/C22H26Cl2N2O3S/c1-2-14-30(28,29)26-12-10-17(11-13-26)21(16-6-4-3-5-7-16)25-22(27)19-9-8-18(23)15-20(19)24/h3-9,15,17,21H,2,10-14H2,1H3,(H,25,27)
InChIKeyPWYFLQOFYFQAOU-UHFFFAOYSA-N
MW469.43 g/mol
LogP4.92
Rot. Bonds7

About 2,4-dichloro-N-[phenyl-(1-propylsulfonylpiperidin-4-yl)methyl]benzamide

2,4-dichloro-N-[phenyl-(1-propylsulfonylpiperidin-4-yl)methyl]benzamide (PubChem CID 46938091) has the molecular formula C22H26Cl2N2O3S and a molecular weight of 469.43 g/mol. Its IUPAC name is 2,4-dichloro-N-[phenyl-(1-propylsulfonylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[phenyl-(1-propylsulfonylpiperidin-4-yl)methyl]benzamide
PubChem CID46938091
Molecular FormulaC22H26Cl2N2O3S
Molecular Weight469.43 g/mol
Exact Mass468.10
IUPAC Name2,4-dichloro-N-[phenyl-(1-propylsulfonylpiperidin-4-yl)methyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)CC1
InChIInChI=1S/C22H26Cl2N2O3S/c1-2-14-30(28,29)26-12-10-17(11-13-26)21(16-6-4-3-5-7-16)25-22(27)19-9-8-18(23)15-20(19)24/h3-9,15,17,21H,2,10-14H2,1H3,(H,25,27)
InChIKeyPWYFLQOFYFQAOU-UHFFFAOYSA-N
XLogP4.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[phenyl-(1-propylsulfonylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[phenyl-(1-propylsulfonylpiperidin-4-yl)methyl]benzamide (CID 46938091) is 2,4-dichloro-N-[phenyl-(1-propylsulfonylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[phenyl-(1-propylsulfonylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[phenyl-(1-propylsulfonylpiperidin-4-yl)methyl]benzamide is CCCS(=O)(=O)N1CCC(C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)CC1.
What is the InChIKey of 2,4-dichloro-N-[phenyl-(1-propylsulfonylpiperidin-4-yl)methyl]benzamide?
The InChIKey is PWYFLQOFYFQAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O3S/c1-2-14-30(28,29)26-12-10-17(11-13-26)21(16-6-4-3-5-7-16)25-22(27)19-9-8-18(23)15-20(19)24/h3-9,15,17,21H,2,10-14H2,1H3,(H,25,27).
What are the key properties of 2,4-dichloro-N-[phenyl-(1-propylsulfonylpiperidin-4-yl)methyl]benzamide?
2,4-dichloro-N-[phenyl-(1-propylsulfonylpiperidin-4-yl)methyl]benzamide has a molecular weight of 469.43 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[phenyl-(1-propylsulfonylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 46938091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).