2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid

C11H11F2NO6S — CID 60708142

IUPAC2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C11H11F2NO6S/c12-11(13)21(18,19)8-3-1-7(2-4-8)14-9(15)5-20-6-10(16)17/h1-4,11H,5-6H2,(H,14,15)(H,16,17)
InChIKeyYGAVTZWZLLQXSK-UHFFFAOYSA-N
MW323.27 g/mol
LogP0.72
Rot. Bonds7

About 2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid

2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid (PubChem CID 60708142) has the molecular formula C11H11F2NO6S and a molecular weight of 323.27 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid
PubChem CID60708142
Molecular FormulaC11H11F2NO6S
Molecular Weight323.27 g/mol
Exact Mass323.03
IUPAC Name2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C11H11F2NO6S/c12-11(13)21(18,19)8-3-1-7(2-4-8)14-9(15)5-20-6-10(16)17/h1-4,11H,5-6H2,(H,14,15)(H,16,17)
InChIKeyYGAVTZWZLLQXSK-UHFFFAOYSA-N
XLogP0.72
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 62230790
2-(4-chlorophenoxy)-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 8503445
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 55310490
2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid
CID 61329012
4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid
CID 61327264
[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55935902
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 7680166
methyl 3-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]benzoate
CID 55468453
methyl 3-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]-4-methylbenzoate
CID 55733967
N-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide
CID 62837560
[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 41188286
N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide
CID 47301190

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid (CID 60708142) is 2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid?
The InChIKey is YGAVTZWZLLQXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO6S/c12-11(13)21(18,19)8-3-1-7(2-4-8)14-9(15)5-20-6-10(16)17/h1-4,11H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid?
2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid has a molecular weight of 323.27 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 60708142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).