2,4-dichloro-N-[(1-methylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide

C19H21Cl2N3O3S — CID 11583046

IUPAC2,4-dichloro-N-[(1-methylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(c2ccccn2)CC1
InChIInChI=1S/C19H21Cl2N3O3S/c1-28(26,27)24-10-7-19(8-11-24,17-4-2-3-9-22-17)13-23-18(25)15-6-5-14(20)12-16(15)21/h2-6,9,12H,7-8,10-11,13H2,1H3,(H,23,25)
InChIKeyRONOFEJNGVTDCL-UHFFFAOYSA-N
MW442.37 g/mol
LogP3.11
Rot. Bonds5

About 2,4-dichloro-N-[(1-methylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide

2,4-dichloro-N-[(1-methylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 11583046) has the molecular formula C19H21Cl2N3O3S and a molecular weight of 442.37 g/mol. Its IUPAC name is 2,4-dichloro-N-[(1-methylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(1-methylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
PubChem CID11583046
Molecular FormulaC19H21Cl2N3O3S
Molecular Weight442.37 g/mol
Exact Mass441.07
IUPAC Name2,4-dichloro-N-[(1-methylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(c2ccccn2)CC1
InChIInChI=1S/C19H21Cl2N3O3S/c1-28(26,27)24-10-7-19(8-11-24,17-4-2-3-9-22-17)13-23-18(25)15-6-5-14(20)12-16(15)21/h2-6,9,12H,7-8,10-11,13H2,1H3,(H,23,25)
InChIKeyRONOFEJNGVTDCL-UHFFFAOYSA-N
XLogP3.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(1-methylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(1-methylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide (CID 11583046) is 2,4-dichloro-N-[(1-methylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(1-methylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(1-methylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide is CS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(c2ccccn2)CC1.
What is the InChIKey of 2,4-dichloro-N-[(1-methylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is RONOFEJNGVTDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O3S/c1-28(26,27)24-10-7-19(8-11-24,17-4-2-3-9-22-17)13-23-18(25)15-6-5-14(20)12-16(15)21/h2-6,9,12H,7-8,10-11,13H2,1H3,(H,23,25).
What are the key properties of 2,4-dichloro-N-[(1-methylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
2,4-dichloro-N-[(1-methylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 442.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(1-methylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 11583046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).