2-chloro-N-cyclooctyl-5-(dimethylsulfamoyl)benzamide

C17H25ClN2O3S — CID 2684469

IUPAC2-chloro-N-cyclooctyl-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C17H25ClN2O3S/c1-20(2)24(22,23)14-10-11-16(18)15(12-14)17(21)19-13-8-6-4-3-5-7-9-13/h10-13H,3-9H2,1-2H3,(H,19,21)
InChIKeyRNUGGGLPHWUSCI-UHFFFAOYSA-N
MW372.92 g/mol
LogP3.43
Rot. Bonds4

About 2-chloro-N-cyclooctyl-5-(dimethylsulfamoyl)benzamide

2-chloro-N-cyclooctyl-5-(dimethylsulfamoyl)benzamide (PubChem CID 2684469) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is 2-chloro-N-cyclooctyl-5-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclooctyl-5-(dimethylsulfamoyl)benzamide
PubChem CID2684469
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC Name2-chloro-N-cyclooctyl-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C17H25ClN2O3S/c1-20(2)24(22,23)14-10-11-16(18)15(12-14)17(21)19-13-8-6-4-3-5-7-9-13/h10-13H,3-9H2,1-2H3,(H,19,21)
InChIKeyRNUGGGLPHWUSCI-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclooctyl-5-(dimethylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-cyclooctyl-5-(dimethylsulfamoyl)benzamide (CID 2684469) is 2-chloro-N-cyclooctyl-5-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-cyclooctyl-5-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-cyclooctyl-5-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCCCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclooctyl-5-(dimethylsulfamoyl)benzamide?
The InChIKey is RNUGGGLPHWUSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3S/c1-20(2)24(22,23)14-10-11-16(18)15(12-14)17(21)19-13-8-6-4-3-5-7-9-13/h10-13H,3-9H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-N-cyclooctyl-5-(dimethylsulfamoyl)benzamide?
2-chloro-N-cyclooctyl-5-(dimethylsulfamoyl)benzamide has a molecular weight of 372.92 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclooctyl-5-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2684469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).