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

C21H26Cl2N4O3S — CID 11634466

IUPAC2,4-dichloro-N-[1-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide
SMILESCCNS(=O)(=O)N1CCC(c2ccccn2)(C(C)NC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H26Cl2N4O3S/c1-3-25-31(29,30)27-12-9-21(10-13-27,19-6-4-5-11-24-19)15(2)26-20(28)17-8-7-16(22)14-18(17)23/h4-8,11,14-15,25H,3,9-10,12-13H2,1-2H3,(H,26,28)
InChIKeyGQODHKUNBWXITA-UHFFFAOYSA-N
MW485.44 g/mol
LogP3.39
Rot. Bonds7

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

2,4-dichloro-N-[1-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide (PubChem CID 11634466) has the molecular formula C21H26Cl2N4O3S and a molecular weight of 485.44 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide
PubChem CID11634466
Molecular FormulaC21H26Cl2N4O3S
Molecular Weight485.44 g/mol
Exact Mass484.11
IUPAC Name2,4-dichloro-N-[1-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide
SMILESCCNS(=O)(=O)N1CCC(c2ccccn2)(C(C)NC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H26Cl2N4O3S/c1-3-25-31(29,30)27-12-9-21(10-13-27,19-6-4-5-11-24-19)15(2)26-20(28)17-8-7-16(22)14-18(17)23/h4-8,11,14-15,25H,3,9-10,12-13H2,1-2H3,(H,26,28)
InChIKeyGQODHKUNBWXITA-UHFFFAOYSA-N
XLogP3.39
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide (CID 11634466) is 2,4-dichloro-N-[1-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide is CCNS(=O)(=O)N1CCC(c2ccccn2)(C(C)NC(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2,4-dichloro-N-[1-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide?
The InChIKey is GQODHKUNBWXITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N4O3S/c1-3-25-31(29,30)27-12-9-21(10-13-27,19-6-4-5-11-24-19)15(2)26-20(28)17-8-7-16(22)14-18(17)23/h4-8,11,14-15,25H,3,9-10,12-13H2,1-2H3,(H,26,28).
What are the key properties of 2,4-dichloro-N-[1-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide?
2,4-dichloro-N-[1-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide has a molecular weight of 485.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide is sourced from PubChem (CID 11634466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).