11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide

C14H28F3NO4S2 — CID 158263815

IUPAC11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide
SMILESCC(C)CCCCCCCCCCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H28F3NO4S2/c1-13(2)11-9-7-5-3-4-6-8-10-12-23(19,20)18-24(21,22)14(15,16)17/h13,18H,3-12H2,1-2H3
InChIKeyJMHGXNDWVAGJOM-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.92
Rot. Bonds13

About 11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide

11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide (PubChem CID 158263815) has the molecular formula C14H28F3NO4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide.

Molecular Properties

Compound Name11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide
PubChem CID158263815
Molecular FormulaC14H28F3NO4S2
Molecular Weight395.51 g/mol
Exact Mass395.14
IUPAC Name11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide
SMILESCC(C)CCCCCCCCCCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H28F3NO4S2/c1-13(2)11-9-7-5-3-4-6-8-10-12-23(19,20)18-24(21,22)14(15,16)17/h13,18H,3-12H2,1-2H3
InChIKeyJMHGXNDWVAGJOM-UHFFFAOYSA-N
XLogP3.92
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide
CID 135209172
7-methyl-N-(trifluoromethylsulfonyl)octanamide
CID 146494618
3-bromo-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 174191027
4-methyl-N-methylsulfonylpentane-1-sulfonamide
CID 146494424
5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
CID 153300698
16-methylheptadecane-1-sulfonic acid
CID 19380804
N-(6-methylheptylsulfonyl)propanamide;molecular hydrogen
CID 167519984
N-methylmethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171932401
nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175845377
lithium 7-methyloctane-1-sulfonate
CID 122481716
2,2,2-trifluoro-N-(7-methyloctyl)acetamide
CID 62491646
sodium 9-methyldecane-1-sulfonate
CID 122480845

Frequently Asked Questions

What is the IUPAC name of 11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide?
The IUPAC name of 11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide (CID 158263815) is 11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide.
What is the SMILES notation for 11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide?
The canonical SMILES for 11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide is CC(C)CCCCCCCCCCS(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide?
The InChIKey is JMHGXNDWVAGJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO4S2/c1-13(2)11-9-7-5-3-4-6-8-10-12-23(19,20)18-24(21,22)14(15,16)17/h13,18H,3-12H2,1-2H3.
What are the key properties of 11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide?
11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide has a molecular weight of 395.51 g/mol, XLogP of 3.92, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide is sourced from PubChem (CID 158263815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).