3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide

C22H28N2O3S — CID 19062588

IUPAC3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCCCC2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-17-14-15-18(22(25)23-19-10-6-3-2-4-7-11-19)16-21(17)24-28(26,27)20-12-8-5-9-13-20/h5,8-9,12-16,19,24H,2-4,6-7,10-11H2,1H3,(H,23,25)
InChIKeyYOUSAATUJZCIJE-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.64
Rot. Bonds5

About 3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide

3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide (PubChem CID 19062588) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
PubChem CID19062588
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCCCC2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-17-14-15-18(22(25)23-19-10-6-3-2-4-7-11-19)16-21(17)24-28(26,27)20-12-8-5-9-13-20/h5,8-9,12-16,19,24H,2-4,6-7,10-11H2,1H3,(H,23,25)
InChIKeyYOUSAATUJZCIJE-UHFFFAOYSA-N
XLogP4.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
CID 19062561
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide
CID 92685822
N-cyclopentyl-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2223474
3-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 109063245
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
2-(benzenesulfonamido)-N-cycloheptylbenzamide
CID 126412627
4-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058338
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 25342365
N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide
CID 20968018
N-cycloheptyl-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 71903641

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide (CID 19062588) is 3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCCCCC2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide?
The InChIKey is YOUSAATUJZCIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-17-14-15-18(22(25)23-19-10-6-3-2-4-7-11-19)16-21(17)24-28(26,27)20-12-8-5-9-13-20/h5,8-9,12-16,19,24H,2-4,6-7,10-11H2,1H3,(H,23,25).
What are the key properties of 3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide?
3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide has a molecular weight of 400.54 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide is sourced from PubChem (CID 19062588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).