2-methyl-N-(trifluoromethylsulfonyl)butane-1-sulfonamide

C6H12F3NO4S2 — CID 135253439

IUPAC2-methyl-N-(trifluoromethylsulfonyl)butane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H12F3NO4S2/c1-3-5(2)4-15(11,12)10-16(13,14)6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeySVLIRROAGFUIPJ-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.80
Rot. Bonds5

About 2-methyl-N-(trifluoromethylsulfonyl)butane-1-sulfonamide

2-methyl-N-(trifluoromethylsulfonyl)butane-1-sulfonamide (PubChem CID 135253439) has the molecular formula C6H12F3NO4S2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-methyl-N-(trifluoromethylsulfonyl)butane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(trifluoromethylsulfonyl)butane-1-sulfonamide
PubChem CID135253439
Molecular FormulaC6H12F3NO4S2
Molecular Weight283.29 g/mol
Exact Mass283.02
IUPAC Name2-methyl-N-(trifluoromethylsulfonyl)butane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H12F3NO4S2/c1-3-5(2)4-15(11,12)10-16(13,14)6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeySVLIRROAGFUIPJ-UHFFFAOYSA-N
XLogP0.80
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(trifluoromethylsulfonyl)butane-1-sulfonamide?
The IUPAC name of 2-methyl-N-(trifluoromethylsulfonyl)butane-1-sulfonamide (CID 135253439) is 2-methyl-N-(trifluoromethylsulfonyl)butane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-(trifluoromethylsulfonyl)butane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-(trifluoromethylsulfonyl)butane-1-sulfonamide is CCC(C)CS(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(trifluoromethylsulfonyl)butane-1-sulfonamide?
The InChIKey is SVLIRROAGFUIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO4S2/c1-3-5(2)4-15(11,12)10-16(13,14)6(7,8)9/h5,10H,3-4H2,1-2H3.
What are the key properties of 2-methyl-N-(trifluoromethylsulfonyl)butane-1-sulfonamide?
2-methyl-N-(trifluoromethylsulfonyl)butane-1-sulfonamide has a molecular weight of 283.29 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(trifluoromethylsulfonyl)butane-1-sulfonamide is sourced from PubChem (CID 135253439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).