N-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide

C6H10F3NO3S — CID 155476018

IUPACN-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide
SMILESC=CS(=O)(=O)N(COC)CC(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c1-3-14(11,12)10(5-13-2)4-6(7,8)9/h3H,1,4-5H2,2H3
InChIKeyXJLJNRKIJJZFRQ-UHFFFAOYSA-N
MW233.21 g/mol
LogP0.93
Rot. Bonds5

About N-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide

N-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide (PubChem CID 155476018) has the molecular formula C6H10F3NO3S and a molecular weight of 233.21 g/mol. Its IUPAC name is N-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide
PubChem CID155476018
Molecular FormulaC6H10F3NO3S
Molecular Weight233.21 g/mol
Exact Mass233.03
IUPAC NameN-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide
SMILESC=CS(=O)(=O)N(COC)CC(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c1-3-14(11,12)10(5-13-2)4-6(7,8)9/h3H,1,4-5H2,2H3
InChIKeyXJLJNRKIJJZFRQ-UHFFFAOYSA-N
XLogP0.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

chloro N,N-bis(2,2,2-trifluoroethyl)sulfamate
CID 139547172
N,N-dipropylethenesulfonamide
CID 22164671
1-ethenylsulfonyl-3-methoxypropane
CID 63857366
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493058
chloro N-methyl-N-(2,2,2-trifluoroethyl)sulfamate
CID 139547171
N-ethyl-N-(methoxymethyl)sulfamoyl chloride
CID 54119947
2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 107493945
N-benzyl-N-(2,2-dimethoxyethyl)ethenesulfonamide
CID 138099222
2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 114806576
N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine
CID 107493022
2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258153
2-[ethenylsulfonyl(ethyl)amino]-N,N-dimethylacetamide
CID 167818857

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide?
The IUPAC name of N-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide (CID 155476018) is N-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide.
What is the SMILES notation for N-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide?
The canonical SMILES for N-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide is C=CS(=O)(=O)N(COC)CC(F)(F)F.
What is the InChIKey of N-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide?
The InChIKey is XJLJNRKIJJZFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3S/c1-3-14(11,12)10(5-13-2)4-6(7,8)9/h3H,1,4-5H2,2H3.
What are the key properties of N-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide?
N-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide has a molecular weight of 233.21 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide is sourced from PubChem (CID 155476018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).