N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(ethylsulfamoyl)benzamide

C18H24ClN3O3S — CID 135213475

IUPACN-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cc(C(=O)NN2CC3C4CCC(C4)C3C2)ccc1Cl
InChIInChI=1S/C18H24ClN3O3S/c1-2-20-26(24,25)17-8-13(5-6-16(17)19)18(23)21-22-9-14-11-3-4-12(7-11)15(14)10-22/h5-6,8,11-12,14-15,20H,2-4,7,9-10H2,1H3,(H,21,23)
InChIKeyWSWXLYTZFRHKBQ-UHFFFAOYSA-N
MW397.93 g/mol
LogP2.26
Rot. Bonds5

About N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(ethylsulfamoyl)benzamide

N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(ethylsulfamoyl)benzamide (PubChem CID 135213475) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(ethylsulfamoyl)benzamide
PubChem CID135213475
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC NameN-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cc(C(=O)NN2CC3C4CCC(C4)C3C2)ccc1Cl
InChIInChI=1S/C18H24ClN3O3S/c1-2-20-26(24,25)17-8-13(5-6-16(17)19)18(23)21-22-9-14-11-3-4-12(7-11)15(14)10-22/h5-6,8,11-12,14-15,20H,2-4,7,9-10H2,1H3,(H,21,23)
InChIKeyWSWXLYTZFRHKBQ-UHFFFAOYSA-N
XLogP2.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(ethylsulfamoyl)benzamide?
The IUPAC name of N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(ethylsulfamoyl)benzamide (CID 135213475) is N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1cc(C(=O)NN2CC3C4CCC(C4)C3C2)ccc1Cl.
What is the InChIKey of N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(ethylsulfamoyl)benzamide?
The InChIKey is WSWXLYTZFRHKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3S/c1-2-20-26(24,25)17-8-13(5-6-16(17)19)18(23)21-22-9-14-11-3-4-12(7-11)15(14)10-22/h5-6,8,11-12,14-15,20H,2-4,7,9-10H2,1H3,(H,21,23).
What are the key properties of N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(ethylsulfamoyl)benzamide?
N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(ethylsulfamoyl)benzamide has a molecular weight of 397.93 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 135213475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).