N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide

C16H27NO2S — CID 19681252

IUPACN-hexyl-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H27NO2S/c1-6-7-8-9-10-17-20(18,19)16-14(4)12(2)11-13(3)15(16)5/h11,17H,6-10H2,1-5H3
InChIKeyDWEFHYBXYZBOEM-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.78
Rot. Bonds7

About N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide

N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 19681252) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-hexyl-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID19681252
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC NameN-hexyl-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H27NO2S/c1-6-7-8-9-10-17-20(18,19)16-14(4)12(2)11-13(3)15(16)5/h11,17H,6-10H2,1-5H3
InChIKeyDWEFHYBXYZBOEM-UHFFFAOYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide 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

3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide
CID 106503609
2,3,4,5,6-pentamethyl-N-octylbenzenesulfonamide
CID 19681352
2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide
CID 19681388
4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide
CID 107327354
3-amino-2,6-dimethyl-N-octylbenzenesulfonamide
CID 115566101
4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid
CID 2437240
2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659681
2-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
propyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CID 78846405
4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
CID 19681262

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide (CID 19681252) is N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide is CCCCCCNS(=O)(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is DWEFHYBXYZBOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-6-7-8-9-10-17-20(18,19)16-14(4)12(2)11-13(3)15(16)5/h11,17H,6-10H2,1-5H3.
What are the key properties of N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide?
N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 297.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 19681252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).