6-[(4-methylphenyl)sulfonylamino]hexanamide

C13H20N2O3S — CID 2447482

IUPAC6-[(4-methylphenyl)sulfonylamino]hexanamide
SMILESCc1ccc(S(=O)(=O)NCCCCCC(N)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-11-6-8-12(9-7-11)19(17,18)15-10-4-2-3-5-13(14)16/h6-9,15H,2-5,10H2,1H3,(H2,14,16)
InChIKeyRMDHWKARQJXITE-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.32
Rot. Bonds8

About 6-[(4-methylphenyl)sulfonylamino]hexanamide

6-[(4-methylphenyl)sulfonylamino]hexanamide (PubChem CID 2447482) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 6-[(4-methylphenyl)sulfonylamino]hexanamide.

Molecular Properties

Compound Name6-[(4-methylphenyl)sulfonylamino]hexanamide
PubChem CID2447482
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name6-[(4-methylphenyl)sulfonylamino]hexanamide
SMILESCc1ccc(S(=O)(=O)NCCCCCC(N)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-11-6-8-12(9-7-11)19(17,18)15-10-4-2-3-5-13(14)16/h6-9,15H,2-5,10H2,1H3,(H2,14,16)
InChIKeyRMDHWKARQJXITE-UHFFFAOYSA-N
XLogP1.32
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(4-methylphenyl)sulfonylamino]hexanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)sulfonylamino]hexanamide?
The IUPAC name of 6-[(4-methylphenyl)sulfonylamino]hexanamide (CID 2447482) is 6-[(4-methylphenyl)sulfonylamino]hexanamide.
What is the SMILES notation for 6-[(4-methylphenyl)sulfonylamino]hexanamide?
The canonical SMILES for 6-[(4-methylphenyl)sulfonylamino]hexanamide is Cc1ccc(S(=O)(=O)NCCCCCC(N)=O)cc1.
What is the InChIKey of 6-[(4-methylphenyl)sulfonylamino]hexanamide?
The InChIKey is RMDHWKARQJXITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-11-6-8-12(9-7-11)19(17,18)15-10-4-2-3-5-13(14)16/h6-9,15H,2-5,10H2,1H3,(H2,14,16).
What are the key properties of 6-[(4-methylphenyl)sulfonylamino]hexanamide?
6-[(4-methylphenyl)sulfonylamino]hexanamide has a molecular weight of 284.38 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)sulfonylamino]hexanamide is sourced from PubChem (CID 2447482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).