4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide

C16H26FNO2S — CID 107327354

IUPAC4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C16H26FNO2S/c1-4-5-6-7-8-9-10-18-21(19,20)16-13(2)11-15(17)12-14(16)3/h11-12,18H,4-10H2,1-3H3
InChIKeyXKAAWSVMXBUVEP-UHFFFAOYSA-N
MW315.45 g/mol
LogP4.08
Rot. Bonds9

About 4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide

4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide (PubChem CID 107327354) has the molecular formula C16H26FNO2S and a molecular weight of 315.45 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide
PubChem CID107327354
Molecular FormulaC16H26FNO2S
Molecular Weight315.45 g/mol
Exact Mass315.17
IUPAC Name4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C16H26FNO2S/c1-4-5-6-7-8-9-10-18-21(19,20)16-13(2)11-15(17)12-14(16)3/h11-12,18H,4-10H2,1-3H3
InChIKeyXKAAWSVMXBUVEP-UHFFFAOYSA-N
XLogP4.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide
CID 19681252
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
5-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]pentanethioamide
CID 107327675
N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326452
N-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328410
2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide
CID 19681388
2,3,4,5,6-pentamethyl-N-octylbenzenesulfonamide
CID 19681352
4-fluoro-2,6-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 120706430
N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 107326734
N-[2-(dimethylsulfamoyl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106336296
2-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838
3-amino-2,6-dimethyl-N-octylbenzenesulfonamide
CID 115566101

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide (CID 107327354) is 4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide is CCCCCCCCNS(=O)(=O)c1c(C)cc(F)cc1C.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide?
The InChIKey is XKAAWSVMXBUVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2S/c1-4-5-6-7-8-9-10-18-21(19,20)16-13(2)11-15(17)12-14(16)3/h11-12,18H,4-10H2,1-3H3.
What are the key properties of 4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide?
4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide has a molecular weight of 315.45 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide is sourced from PubChem (CID 107327354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).