2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid

C9H9F2NO4S — CID 43237883

IUPAC2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C9H9F2NO4S/c1-12(5-8(13)14)17(15,16)9-6(10)3-2-4-7(9)11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyOECSNVHDYJSHFS-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.67
Rot. Bonds4

About 2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid

2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid (PubChem CID 43237883) has the molecular formula C9H9F2NO4S and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid
PubChem CID43237883
Molecular FormulaC9H9F2NO4S
Molecular Weight265.24 g/mol
Exact Mass265.02
IUPAC Name2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C9H9F2NO4S/c1-12(5-8(13)14)17(15,16)9-6(10)3-2-4-7(9)11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyOECSNVHDYJSHFS-UHFFFAOYSA-N
XLogP0.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid
CID 43091528
2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid
CID 61007874
2-[(2,6-difluorophenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265452
2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967328
2-[(4-fluoronaphthalen-1-yl)sulfonyl-methylamino]acetic acid
CID 847773
2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113498561
methyl 4-[(2,6-difluorophenyl)sulfonyl-methylamino]butanoate
CID 60715440
2-[(2,6-difluorophenyl)sulfonyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 17398372
3-[(2,6-difluorophenyl)sulfonyl-ethylamino]butanoic acid
CID 62827786
2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid
CID 90148129
2-[cyclobutyl-(2-fluoro-6-methylphenyl)sulfonylamino]acetic acid
CID 136550997
2-[(3-fluoro-4-nitrophenyl)sulfonyl-methylamino]acetic acid
CID 82843672

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid?
The IUPAC name of 2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid (CID 43237883) is 2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid?
The canonical SMILES for 2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid is CN(CC(=O)O)S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid?
The InChIKey is OECSNVHDYJSHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4S/c1-12(5-8(13)14)17(15,16)9-6(10)3-2-4-7(9)11/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid?
2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid has a molecular weight of 265.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid is sourced from PubChem (CID 43237883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).