2,4-dichloro-N-[phenyl-(1-propylsulfonylazetidin-3-yl)methyl]benzamide

C20H22Cl2N2O3S — CID 46935693

IUPAC2,4-dichloro-N-[phenyl-(1-propylsulfonylazetidin-3-yl)methyl]benzamide
SMILESCCCS(=O)(=O)N1CC(C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)C1
InChIInChI=1S/C20H22Cl2N2O3S/c1-2-10-28(26,27)24-12-15(13-24)19(14-6-4-3-5-7-14)23-20(25)17-9-8-16(21)11-18(17)22/h3-9,11,15,19H,2,10,12-13H2,1H3,(H,23,25)
InChIKeyYWPDEJOQYNUKLM-UHFFFAOYSA-N
MW441.38 g/mol
LogP4.14
Rot. Bonds7

About 2,4-dichloro-N-[phenyl-(1-propylsulfonylazetidin-3-yl)methyl]benzamide

2,4-dichloro-N-[phenyl-(1-propylsulfonylazetidin-3-yl)methyl]benzamide (PubChem CID 46935693) has the molecular formula C20H22Cl2N2O3S and a molecular weight of 441.38 g/mol. Its IUPAC name is 2,4-dichloro-N-[phenyl-(1-propylsulfonylazetidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[phenyl-(1-propylsulfonylazetidin-3-yl)methyl]benzamide
PubChem CID46935693
Molecular FormulaC20H22Cl2N2O3S
Molecular Weight441.38 g/mol
Exact Mass440.07
IUPAC Name2,4-dichloro-N-[phenyl-(1-propylsulfonylazetidin-3-yl)methyl]benzamide
SMILESCCCS(=O)(=O)N1CC(C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)C1
InChIInChI=1S/C20H22Cl2N2O3S/c1-2-10-28(26,27)24-12-15(13-24)19(14-6-4-3-5-7-14)23-20(25)17-9-8-16(21)11-18(17)22/h3-9,11,15,19H,2,10,12-13H2,1H3,(H,23,25)
InChIKeyYWPDEJOQYNUKLM-UHFFFAOYSA-N
XLogP4.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.38
LogP ≤ 54.14
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-propylsulfonylazetidin-3-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[phenyl-(1-propylsulfonylazetidin-3-yl)methyl]benzamide (CID 46935693) is 2,4-dichloro-N-[phenyl-(1-propylsulfonylazetidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[phenyl-(1-propylsulfonylazetidin-3-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[phenyl-(1-propylsulfonylazetidin-3-yl)methyl]benzamide is CCCS(=O)(=O)N1CC(C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)C1.
What is the InChIKey of 2,4-dichloro-N-[phenyl-(1-propylsulfonylazetidin-3-yl)methyl]benzamide?
The InChIKey is YWPDEJOQYNUKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3S/c1-2-10-28(26,27)24-12-15(13-24)19(14-6-4-3-5-7-14)23-20(25)17-9-8-16(21)11-18(17)22/h3-9,11,15,19H,2,10,12-13H2,1H3,(H,23,25).
What are the key properties of 2,4-dichloro-N-[phenyl-(1-propylsulfonylazetidin-3-yl)methyl]benzamide?
2,4-dichloro-N-[phenyl-(1-propylsulfonylazetidin-3-yl)methyl]benzamide has a molecular weight of 441.38 g/mol, XLogP of 4.14, 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-propylsulfonylazetidin-3-yl)methyl]benzamide is sourced from PubChem (CID 46935693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).