methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate

C7H12F3NO5S — CID 107483744

IUPACmethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO5S/c1-16-6(13)4-17(14,15)11(2-3-12)5-7(8,9)10/h12H,2-5H2,1H3
InChIKeyYGIDNPZNTIGWGY-UHFFFAOYSA-N
MW279.24 g/mol
LogP-0.65
Rot. Bonds6

About methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate

methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate (PubChem CID 107483744) has the molecular formula C7H12F3NO5S and a molecular weight of 279.24 g/mol. Its IUPAC name is methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate
PubChem CID107483744
Molecular FormulaC7H12F3NO5S
Molecular Weight279.24 g/mol
Exact Mass279.04
IUPAC Namemethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO5S/c1-16-6(13)4-17(14,15)11(2-3-12)5-7(8,9)10/h12H,2-5H2,1H3
InChIKeyYGIDNPZNTIGWGY-UHFFFAOYSA-N
XLogP-0.65
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate
CID 163617657
4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876756
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947606
2-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60891177
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60950149
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60950309
Methyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 61460226
2-[Difluoromethylsulfonyl(2-methoxyethyl)amino]acetic acid
CID 61537321
2-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 61605905
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 64584574
2-[(1-Methoxy-1-oxopropan-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257737
2-[Propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257910

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate (CID 107483744) is methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate is COC(=O)CS(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate?
The InChIKey is YGIDNPZNTIGWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO5S/c1-16-6(13)4-17(14,15)11(2-3-12)5-7(8,9)10/h12H,2-5H2,1H3.
What are the key properties of methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate?
methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate has a molecular weight of 279.24 g/mol, XLogP of -0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate is sourced from PubChem (CID 107483744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).