2-[difluoromethylsulfonyl(methyl)amino]acetic acid

C4H7F2NO4S — CID 28606630

IUPAC2-[difluoromethylsulfonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)C(F)F
InChIInChI=1S/C4H7F2NO4S/c1-7(2-3(8)9)12(10,11)4(5)6/h4H,2H2,1H3,(H,8,9)
InChIKeyQPTHHOAXJYZETQ-UHFFFAOYSA-N
MW203.17 g/mol
LogP-0.44
Rot. Bonds4

About 2-[difluoromethylsulfonyl(methyl)amino]acetic acid

2-[difluoromethylsulfonyl(methyl)amino]acetic acid (PubChem CID 28606630) has the molecular formula C4H7F2NO4S and a molecular weight of 203.17 g/mol. Its IUPAC name is 2-[difluoromethylsulfonyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[difluoromethylsulfonyl(methyl)amino]acetic acid
PubChem CID28606630
Molecular FormulaC4H7F2NO4S
Molecular Weight203.17 g/mol
Exact Mass203.01
IUPAC Name2-[difluoromethylsulfonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)C(F)F
InChIInChI=1S/C4H7F2NO4S/c1-7(2-3(8)9)12(10,11)4(5)6/h4H,2H2,1H3,(H,8,9)
InChIKeyQPTHHOAXJYZETQ-UHFFFAOYSA-N
XLogP-0.44
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[difluoromethylsulfonyl(methyl)amino]acetic acid 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-[difluoromethylsulfonyl(methyl)amino]acetate
CID 43624247
2-[difluoromethylsulfonyl(propan-2-yl)amino]acetic acid
CID 60828476
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid
CID 60829147
2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid
CID 122067747
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;methylsulfonylmethane
CID 12001108
2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 122101473
2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 43351470
2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid
CID 43237883
2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid
CID 55245356
2-[2,2-difluoroethyl(ethyl)amino]acetic acid
CID 61011889
2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258153

Frequently Asked Questions

What is the IUPAC name of 2-[difluoromethylsulfonyl(methyl)amino]acetic acid?
The IUPAC name of 2-[difluoromethylsulfonyl(methyl)amino]acetic acid (CID 28606630) is 2-[difluoromethylsulfonyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[difluoromethylsulfonyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[difluoromethylsulfonyl(methyl)amino]acetic acid is CN(CC(=O)O)S(=O)(=O)C(F)F.
What is the InChIKey of 2-[difluoromethylsulfonyl(methyl)amino]acetic acid?
The InChIKey is QPTHHOAXJYZETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO4S/c1-7(2-3(8)9)12(10,11)4(5)6/h4H,2H2,1H3,(H,8,9).
What are the key properties of 2-[difluoromethylsulfonyl(methyl)amino]acetic acid?
2-[difluoromethylsulfonyl(methyl)amino]acetic acid has a molecular weight of 203.17 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoromethylsulfonyl(methyl)amino]acetic acid is sourced from PubChem (CID 28606630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).