N-methylethanesulfonamide;2,2,2-trifluoroacetic acid

C5H10F3NO4S — CID 175428708

IUPACN-methylethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCCS(=O)(=O)NC.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9NO2S.C2HF3O2/c1-3-7(5,6)4-2;3-2(4,5)1(6)7/h4H,3H2,1-2H3;(H,6,7)
InChIKeySGGYKZRPCRTHBP-UHFFFAOYSA-N
MW237.20 g/mol
LogP0.19
Rot. Bonds2

About N-methylethanesulfonamide;2,2,2-trifluoroacetic acid

N-methylethanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 175428708) has the molecular formula C5H10F3NO4S and a molecular weight of 237.20 g/mol. Its IUPAC name is N-methylethanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methylethanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID175428708
Molecular FormulaC5H10F3NO4S
Molecular Weight237.20 g/mol
Exact Mass237.03
IUPAC NameN-methylethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCCS(=O)(=O)NC.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9NO2S.C2HF3O2/c1-3-7(5,6)4-2;3-2(4,5)1(6)7/h4H,3H2,1-2H3;(H,6,7)
InChIKeySGGYKZRPCRTHBP-UHFFFAOYSA-N
XLogP0.19
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylethanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methylethanesulfonamide;2,2,2-trifluoroacetic acid (CID 175428708) is N-methylethanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methylethanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methylethanesulfonamide;2,2,2-trifluoroacetic acid is CCS(=O)(=O)NC.O=C(O)C(F)(F)F.
What is the InChIKey of N-methylethanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is SGGYKZRPCRTHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S.C2HF3O2/c1-3-7(5,6)4-2;3-2(4,5)1(6)7/h4H,3H2,1-2H3;(H,6,7).
What are the key properties of N-methylethanesulfonamide;2,2,2-trifluoroacetic acid?
N-methylethanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 237.20 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175428708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).