2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid

C10H11F2NO4S — CID 61263772

IUPAC2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(C)(NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)O
InChIInChI=1S/C10H11F2NO4S/c1-10(2,9(14)15)13-18(16,17)6-3-4-7(11)8(12)5-6/h3-5,13H,1-2H3,(H,14,15)
InChIKeyGXXJQJULXJGWLZ-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.11
Rot. Bonds4

About 2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid

2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 61263772) has the molecular formula C10H11F2NO4S and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid
PubChem CID61263772
Molecular FormulaC10H11F2NO4S
Molecular Weight279.26 g/mol
Exact Mass279.04
IUPAC Name2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(C)(NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)O
InChIInChI=1S/C10H11F2NO4S/c1-10(2,9(14)15)13-18(16,17)6-3-4-7(11)8(12)5-6/h3-5,13H,1-2H3,(H,14,15)
InChIKeyGXXJQJULXJGWLZ-UHFFFAOYSA-N
XLogP1.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61262307
2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 61263607
2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263769
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61262298
methyl 2-[(3-fluoro-4-methylphenyl)sulfonylamino]-2-methylpropanoate
CID 39655364
2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 116527334
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65266269
N-(1-chloro-2-methylbutan-2-yl)-3,4-difluorobenzenesulfonamide
CID 65032918
2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 61263224
N'-(3,4-difluorophenyl)sulfonylacetohydrazide
CID 8500703
N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide
CID 47271271
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61261369

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid (CID 61263772) is 2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid is CC(C)(NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)O.
What is the InChIKey of 2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid?
The InChIKey is GXXJQJULXJGWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4S/c1-10(2,9(14)15)13-18(16,17)6-3-4-7(11)8(12)5-6/h3-5,13H,1-2H3,(H,14,15).
What are the key properties of 2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid?
2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 279.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid is sourced from PubChem (CID 61263772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).