2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid

C11H11F2NO5S — CID 119349957

IUPAC2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C11H11F2NO5S/c12-11(13)20(18,19)8-3-1-7(2-4-8)5-9(15)14-6-10(16)17/h1-4,11H,5-6H2,(H,14,15)(H,16,17)
InChIKeyXLZBTRVBHSNVIV-UHFFFAOYSA-N
MW307.27 g/mol
LogP0.43
Rot. Bonds6

About 2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid

2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid (PubChem CID 119349957) has the molecular formula C11H11F2NO5S and a molecular weight of 307.27 g/mol. Its IUPAC name is 2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid
PubChem CID119349957
Molecular FormulaC11H11F2NO5S
Molecular Weight307.27 g/mol
Exact Mass307.03
IUPAC Name2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C11H11F2NO5S/c12-11(13)20(18,19)8-3-1-7(2-4-8)5-9(15)14-6-10(16)17/h1-4,11H,5-6H2,(H,14,15)(H,16,17)
InChIKeyXLZBTRVBHSNVIV-UHFFFAOYSA-N
XLogP0.43
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]butanoic acid
CID 119352372
N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 119641229
2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone
CID 63199057
(2R)-2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]-4-methylpentanoic acid
CID 119363039
2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511600
3-[4-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 62230790
N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119620018
4-(difluoromethylsulfonyl)benzohydrazide
CID 703325
4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565
N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119566169
4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25402418
CID 162598602
CID 162598602

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid (CID 119349957) is 2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid?
The InChIKey is XLZBTRVBHSNVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO5S/c12-11(13)20(18,19)8-3-1-7(2-4-8)5-9(15)14-6-10(16)17/h1-4,11H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid?
2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid has a molecular weight of 307.27 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119349957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).