N-cyclooctyl-3-methylbenzenesulfonamide

C15H23NO2S — CID 2497018

IUPACN-cyclooctyl-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C15H23NO2S/c1-13-8-7-11-15(12-13)19(17,18)16-14-9-5-3-2-4-6-10-14/h7-8,11-12,14,16H,2-6,9-10H2,1H3
InChIKeyXRNNWZJOVKMVCY-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.39
Rot. Bonds3

About N-cyclooctyl-3-methylbenzenesulfonamide

N-cyclooctyl-3-methylbenzenesulfonamide (PubChem CID 2497018) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-cyclooctyl-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-3-methylbenzenesulfonamide
PubChem CID2497018
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-cyclooctyl-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C15H23NO2S/c1-13-8-7-11-15(12-13)19(17,18)16-14-9-5-3-2-4-6-10-14/h7-8,11-12,14,16H,2-6,9-10H2,1H3
InChIKeyXRNNWZJOVKMVCY-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-methylsulfonylbenzenesulfonamide
CID 6462647
4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808567
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 47114532
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022
N-cycloheptyl-3-nitrobenzenesulfonamide
CID 19203727
2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818390
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-(cycloheptylsulfamoyl)benzenecarbothioamide
CID 43346188
3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide
CID 1356174

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-methylbenzenesulfonamide?
The IUPAC name of N-cyclooctyl-3-methylbenzenesulfonamide (CID 2497018) is N-cyclooctyl-3-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclooctyl-3-methylbenzenesulfonamide?
The canonical SMILES for N-cyclooctyl-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NC2CCCCCCC2)c1.
What is the InChIKey of N-cyclooctyl-3-methylbenzenesulfonamide?
The InChIKey is XRNNWZJOVKMVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-13-8-7-11-15(12-13)19(17,18)16-14-9-5-3-2-4-6-10-14/h7-8,11-12,14,16H,2-6,9-10H2,1H3.
What are the key properties of N-cyclooctyl-3-methylbenzenesulfonamide?
N-cyclooctyl-3-methylbenzenesulfonamide has a molecular weight of 281.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-methylbenzenesulfonamide is sourced from PubChem (CID 2497018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).