N-(4-methylphenyl)sulfonyloctanamide

C15H23NO3S — CID 13094109

IUPACN-(4-methylphenyl)sulfonyloctanamide
SMILESCCCCCCCC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO3S/c1-3-4-5-6-7-8-15(17)16-20(18,19)14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3,(H,16,17)
InChIKeyRXHJVFQLJPGBFA-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.16
Rot. Bonds8

About N-(4-methylphenyl)sulfonyloctanamide

N-(4-methylphenyl)sulfonyloctanamide (PubChem CID 13094109) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyloctanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyloctanamide
PubChem CID13094109
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(4-methylphenyl)sulfonyloctanamide
SMILESCCCCCCCC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO3S/c1-3-4-5-6-7-8-15(17)16-20(18,19)14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3,(H,16,17)
InChIKeyRXHJVFQLJPGBFA-UHFFFAOYSA-N
XLogP3.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-methylphenyl)sulfonyloctanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminophenyl)sulfonyloctadecanamide;titanium
CID 87794526
N-(4-aminophenyl)sulfonyloctadecanamide;sulfane;sulfuric acid
CID 70524364
1-(4-methylphenyl)sulfonyl-3-[1-[(4-methylphenyl)sulfonylcarbamoylamino]-2-oxohexadecyl]urea
CID 23176150
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
N-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide
CID 3112790
ethyl 2-diazo-9-[(4-methylphenyl)sulfonylamino]-9-oxononanoate
CID 102069835
N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide
CID 142683766
1-(4-methylphenyl)sulfonyl-3-(4-octadecanoylphenyl)urea
CID 21459629
N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide
CID 102513773
N-(4-nitrophenyl)sulfonylpentanamide
CID 162405454
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyloctanamide?
The IUPAC name of N-(4-methylphenyl)sulfonyloctanamide (CID 13094109) is N-(4-methylphenyl)sulfonyloctanamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyloctanamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyloctanamide is CCCCCCCC(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyloctanamide?
The InChIKey is RXHJVFQLJPGBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-4-5-6-7-8-15(17)16-20(18,19)14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3,(H,16,17).
What are the key properties of N-(4-methylphenyl)sulfonyloctanamide?
N-(4-methylphenyl)sulfonyloctanamide has a molecular weight of 297.42 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyloctanamide is sourced from PubChem (CID 13094109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).