2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide

C6H10F3NO4S2 — CID 123826601

IUPAC2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide
SMILESC=CC(C)(C)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO4S2/c1-4-5(2,3)15(11,12)10-16(13,14)6(7,8)9/h4,10H,1H2,2-3H3
InChIKeyVYCVZQZZNFUYHF-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.72
Rot. Bonds4

About 2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide

2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide (PubChem CID 123826601) has the molecular formula C6H10F3NO4S2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide
PubChem CID123826601
Molecular FormulaC6H10F3NO4S2
Molecular Weight281.28 g/mol
Exact Mass281.00
IUPAC Name2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide
SMILESC=CC(C)(C)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO4S2/c1-4-5(2,3)15(11,12)10-16(13,14)6(7,8)9/h4,10H,1H2,2-3H3
InChIKeyVYCVZQZZNFUYHF-UHFFFAOYSA-N
XLogP0.72
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280
N-methylmethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171932401
copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 161328389
copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate
CID 175971884
N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide
CID 58312165
nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175845377
ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175259089
N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron
CID 175079418
2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 72943323
lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
CID 173034743
1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 172749871
ethene;1,1,1-trifluoroethane
CID 175131333

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide?
The IUPAC name of 2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide (CID 123826601) is 2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide?
The canonical SMILES for 2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide is C=CC(C)(C)S(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide?
The InChIKey is VYCVZQZZNFUYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO4S2/c1-4-5(2,3)15(11,12)10-16(13,14)6(7,8)9/h4,10H,1H2,2-3H3.
What are the key properties of 2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide?
2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide has a molecular weight of 281.28 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide is sourced from PubChem (CID 123826601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).