2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide

C21H26Cl2N4O3S — CID 68898898

IUPAC2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide
SMILESCCNS(=O)(=O)N1CCC(CCNC(=O)c2ccc(Cl)cc2Cl)(c2ccccn2)CC1
InChIInChI=1S/C21H26Cl2N4O3S/c1-2-26-31(29,30)27-13-9-21(10-14-27,19-5-3-4-11-24-19)8-12-25-20(28)17-7-6-16(22)15-18(17)23/h3-7,11,15,26H,2,8-10,12-14H2,1H3,(H,25,28)
InChIKeyPLPUJOCVLHUXFD-UHFFFAOYSA-N
MW485.44 g/mol
LogP3.40
Rot. Bonds8

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

2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide (PubChem CID 68898898) has the molecular formula C21H26Cl2N4O3S and a molecular weight of 485.44 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide
PubChem CID68898898
Molecular FormulaC21H26Cl2N4O3S
Molecular Weight485.44 g/mol
Exact Mass484.11
IUPAC Name2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide
SMILESCCNS(=O)(=O)N1CCC(CCNC(=O)c2ccc(Cl)cc2Cl)(c2ccccn2)CC1
InChIInChI=1S/C21H26Cl2N4O3S/c1-2-26-31(29,30)27-13-9-21(10-14-27,19-5-3-4-11-24-19)8-12-25-20(28)17-7-6-16(22)15-18(17)23/h3-7,11,15,26H,2,8-10,12-14H2,1H3,(H,25,28)
InChIKeyPLPUJOCVLHUXFD-UHFFFAOYSA-N
XLogP3.40
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-N-[1-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide
CID 11634466
methyl 2-[4-[[(2,4-dichlorobenzoyl)amino]methyl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylacetate
CID 57430076
2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide
CID 59003515
2,4-dichloro-N-[(1S)-1-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)ethyl]benzamide
CID 11503999
tert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate
CID 68688536
2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439032
2-chloro-3,6-difluoro-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide;hydrochloride
CID 44564758
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide
CID 16678874
2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane
CID 143116417
2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058964

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide (CID 68898898) is 2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide is CCNS(=O)(=O)N1CCC(CCNC(=O)c2ccc(Cl)cc2Cl)(c2ccccn2)CC1.
What is the InChIKey of 2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide?
The InChIKey is PLPUJOCVLHUXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N4O3S/c1-2-26-31(29,30)27-13-9-21(10-14-27,19-5-3-4-11-24-19)8-12-25-20(28)17-7-6-16(22)15-18(17)23/h3-7,11,15,26H,2,8-10,12-14H2,1H3,(H,25,28).
What are the key properties of 2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide?
2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide has a molecular weight of 485.44 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide is sourced from PubChem (CID 68898898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).