4-methyl-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide

C7H14F3NO4S2 — CID 135210730

IUPAC4-methyl-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
SMILESCC(C)CCCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO4S2/c1-6(2)4-3-5-16(12,13)11-17(14,15)7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeySOEIJNPXFBJXOM-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.19
Rot. Bonds6

About 4-methyl-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide

4-methyl-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide (PubChem CID 135210730) has the molecular formula C7H14F3NO4S2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-methyl-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
PubChem CID135210730
Molecular FormulaC7H14F3NO4S2
Molecular Weight297.32 g/mol
Exact Mass297.03
IUPAC Name4-methyl-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
SMILESCC(C)CCCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO4S2/c1-6(2)4-3-5-16(12,13)11-17(14,15)7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeySOEIJNPXFBJXOM-UHFFFAOYSA-N
XLogP1.19
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide?
The IUPAC name of 4-methyl-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide (CID 135210730) is 4-methyl-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide?
The canonical SMILES for 4-methyl-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide is CC(C)CCCS(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 4-methyl-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide?
The InChIKey is SOEIJNPXFBJXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO4S2/c1-6(2)4-3-5-16(12,13)11-17(14,15)7(8,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of 4-methyl-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide?
4-methyl-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide has a molecular weight of 297.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide is sourced from PubChem (CID 135210730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).