N-cyclododecyl-2,4-dimethylbenzenesulfonamide

C20H33NO2S — CID 19681945

IUPACN-cyclododecyl-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCCCCCCCC2)c(C)c1
InChIInChI=1S/C20H33NO2S/c1-17-14-15-20(18(2)16-17)24(22,23)21-19-12-10-8-6-4-3-5-7-9-11-13-19/h14-16,19,21H,3-13H2,1-2H3
InChIKeyFNHYKHYYCZBPHK-UHFFFAOYSA-N
MW351.56 g/mol
LogP5.26
Rot. Bonds3

About N-cyclododecyl-2,4-dimethylbenzenesulfonamide

N-cyclododecyl-2,4-dimethylbenzenesulfonamide (PubChem CID 19681945) has the molecular formula C20H33NO2S and a molecular weight of 351.56 g/mol. Its IUPAC name is N-cyclododecyl-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclododecyl-2,4-dimethylbenzenesulfonamide
PubChem CID19681945
Molecular FormulaC20H33NO2S
Molecular Weight351.56 g/mol
Exact Mass351.22
IUPAC NameN-cyclododecyl-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCCCCCCCC2)c(C)c1
InChIInChI=1S/C20H33NO2S/c1-17-14-15-20(18(2)16-17)24(22,23)21-19-12-10-8-6-4-3-5-7-9-11-13-19/h14-16,19,21H,3-13H2,1-2H3
InChIKeyFNHYKHYYCZBPHK-UHFFFAOYSA-N
XLogP5.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.56
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 39659124
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide
CID 83228380
N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide
CID 106367713
methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783
N-[1-(cyanomethyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 63625380
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide
CID 114624962
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
CID 103835923

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-cyclododecyl-2,4-dimethylbenzenesulfonamide (CID 19681945) is N-cyclododecyl-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-cyclododecyl-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-cyclododecyl-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCCCCCCCCC2)c(C)c1.
What is the InChIKey of N-cyclododecyl-2,4-dimethylbenzenesulfonamide?
The InChIKey is FNHYKHYYCZBPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2S/c1-17-14-15-20(18(2)16-17)24(22,23)21-19-12-10-8-6-4-3-5-7-9-11-13-19/h14-16,19,21H,3-13H2,1-2H3.
What are the key properties of N-cyclododecyl-2,4-dimethylbenzenesulfonamide?
N-cyclododecyl-2,4-dimethylbenzenesulfonamide has a molecular weight of 351.56 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 19681945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).