4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide

C23H37NO4S — CID 25023387

IUPAC4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCCCCCCCC(=O)OC(C)CC2)cc1
InChIInChI=1S/C23H37NO4S/c1-19-13-17-22(18-14-19)29(26,27)24-21-11-9-7-5-3-4-6-8-10-12-23(25)28-20(2)15-16-21/h13-14,17-18,20-21,24H,3-12,15-16H2,1-2H3
InChIKeyIFXIUHSCMJJJJI-UHFFFAOYSA-N
MW423.62 g/mol
LogP5.27
Rot. Bonds3

About 4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide

4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (PubChem CID 25023387) has the molecular formula C23H37NO4S and a molecular weight of 423.62 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
PubChem CID25023387
Molecular FormulaC23H37NO4S
Molecular Weight423.62 g/mol
Exact Mass423.24
IUPAC Name4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCCCCCCCC(=O)OC(C)CC2)cc1
InChIInChI=1S/C23H37NO4S/c1-19-13-17-22(18-14-19)29(26,27)24-21-11-9-7-5-3-4-6-8-10-12-23(25)28-20(2)15-16-21/h13-14,17-18,20-21,24H,3-12,15-16H2,1-2H3
InChIKeyIFXIUHSCMJJJJI-UHFFFAOYSA-N
XLogP5.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.62
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate
CID 25023446
4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023323
1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 859646
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 32684915
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 146022850
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695550
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (CID 25023387) is 4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCCCCCCCCC(=O)OC(C)CC2)cc1.
What is the InChIKey of 4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The InChIKey is IFXIUHSCMJJJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO4S/c1-19-13-17-22(18-14-19)29(26,27)24-21-11-9-7-5-3-4-6-8-10-12-23(25)28-20(2)15-16-21/h13-14,17-18,20-21,24H,3-12,15-16H2,1-2H3.
What are the key properties of 4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide has a molecular weight of 423.62 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is sourced from PubChem (CID 25023387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).