N-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide

C4H6F3NO4S2 — CID 59046753

IUPACN-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO4S2/c1-2-3-13(9,10)8-14(11,12)4(5,6)7/h2,8H,1,3H2
InChIKeyMHAZGDURRKTGIZ-UHFFFAOYSA-N
MW253.22 g/mol
LogP-0.06
Rot. Bonds4

About N-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide

N-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide (PubChem CID 59046753) has the molecular formula C4H6F3NO4S2 and a molecular weight of 253.22 g/mol. Its IUPAC name is N-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide
PubChem CID59046753
Molecular FormulaC4H6F3NO4S2
Molecular Weight253.22 g/mol
Exact Mass252.97
IUPAC NameN-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO4S2/c1-2-3-13(9,10)8-14(11,12)4(5,6)7/h2,8H,1,3H2
InChIKeyMHAZGDURRKTGIZ-UHFFFAOYSA-N
XLogP-0.06
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide (CID 59046753) is N-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide?
The InChIKey is MHAZGDURRKTGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO4S2/c1-2-3-13(9,10)8-14(11,12)4(5,6)7/h2,8H,1,3H2.
What are the key properties of N-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide?
N-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide has a molecular weight of 253.22 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 59046753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).