N-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide

C23H39NO4S — CID 67788788

IUPACN-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)c1cc(O)ccc1C
InChIInChI=1S/C23H39NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(26)24-29(27,28)22-19-21(25)18-17-20(22)2/h17-19,25H,3-16H2,1-2H3,(H,24,26)
InChIKeyAGXDPEUYRAXCGM-UHFFFAOYSA-N
MW425.64 g/mol
LogP5.99
Rot. Bonds16

About N-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide

N-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide (PubChem CID 67788788) has the molecular formula C23H39NO4S and a molecular weight of 425.64 g/mol. Its IUPAC name is N-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide
PubChem CID67788788
Molecular FormulaC23H39NO4S
Molecular Weight425.64 g/mol
Exact Mass425.26
IUPAC NameN-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)c1cc(O)ccc1C
InChIInChI=1S/C23H39NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(26)24-29(27,28)22-19-21(25)18-17-20(22)2/h17-19,25H,3-16H2,1-2H3,(H,24,26)
InChIKeyAGXDPEUYRAXCGM-UHFFFAOYSA-N
XLogP5.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.64
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide
CID 47052057
N-(4-methylphenyl)sulfonyloctanamide
CID 13094109
N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide
CID 47269188
N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide
CID 47269187
N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide
CID 142683766
4-acetamido-N-(5-cyano-2-methylphenyl)sulfonylbutanamide
CID 99808339
N-(4-aminophenyl)sulfonyloctadecanamide;titanium
CID 87794526
N-[2-(4-hydroxyanilino)ethyl]octadecanamide
CID 54485525
4-methyl-3-(octylsulfamoyl)benzoic acid
CID 100820248
N-(4-aminophenyl)sulfonyloctadecanamide;sulfane;sulfuric acid
CID 70524364
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide?
The IUPAC name of N-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide (CID 67788788) is N-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide.
What is the SMILES notation for N-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide?
The canonical SMILES for N-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide is CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)c1cc(O)ccc1C.
What is the InChIKey of N-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide?
The InChIKey is AGXDPEUYRAXCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(26)24-29(27,28)22-19-21(25)18-17-20(22)2/h17-19,25H,3-16H2,1-2H3,(H,24,26).
What are the key properties of N-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide?
N-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide has a molecular weight of 425.64 g/mol, XLogP of 5.99, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide is sourced from PubChem (CID 67788788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).