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

C21H25Cl2N3O3S — CID 11705483

IUPAC2,4-dichloro-N-[(1-propan-2-ylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
SMILESCC(C)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(c2ccccn2)CC1
InChIInChI=1S/C21H25Cl2N3O3S/c1-15(2)30(28,29)26-11-8-21(9-12-26,19-5-3-4-10-24-19)14-25-20(27)17-7-6-16(22)13-18(17)23/h3-7,10,13,15H,8-9,11-12,14H2,1-2H3,(H,25,27)
InChIKeyMKMODMQNPONPAV-UHFFFAOYSA-N
MW470.42 g/mol
LogP3.89
Rot. Bonds6

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

2,4-dichloro-N-[(1-propan-2-ylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 11705483) has the molecular formula C21H25Cl2N3O3S and a molecular weight of 470.42 g/mol. Its IUPAC name is 2,4-dichloro-N-[(1-propan-2-ylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(1-propan-2-ylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
PubChem CID11705483
Molecular FormulaC21H25Cl2N3O3S
Molecular Weight470.42 g/mol
Exact Mass469.10
IUPAC Name2,4-dichloro-N-[(1-propan-2-ylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
SMILESCC(C)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(c2ccccn2)CC1
InChIInChI=1S/C21H25Cl2N3O3S/c1-15(2)30(28,29)26-11-8-21(9-12-26,19-5-3-4-10-24-19)14-25-20(27)17-7-6-16(22)13-18(17)23/h3-7,10,13,15H,8-9,11-12,14H2,1-2H3,(H,25,27)
InChIKeyMKMODMQNPONPAV-UHFFFAOYSA-N
XLogP3.89
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-N-[(1-propan-2-ylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)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 2,4-dichloro-N-[(1-propan-2-ylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(1-propan-2-ylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide (CID 11705483) is 2,4-dichloro-N-[(1-propan-2-ylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(1-propan-2-ylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(1-propan-2-ylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide is CC(C)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(c2ccccn2)CC1.
What is the InChIKey of 2,4-dichloro-N-[(1-propan-2-ylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is MKMODMQNPONPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O3S/c1-15(2)30(28,29)26-11-8-21(9-12-26,19-5-3-4-10-24-19)14-25-20(27)17-7-6-16(22)13-18(17)23/h3-7,10,13,15H,8-9,11-12,14H2,1-2H3,(H,25,27).
What are the key properties of 2,4-dichloro-N-[(1-propan-2-ylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
2,4-dichloro-N-[(1-propan-2-ylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 470.42 g/mol, XLogP of 3.89, 6 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-propan-2-ylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 11705483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).