2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid

C10H12FNO4S — CID 61262307

IUPAC2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(C)(NS(=O)(=O)c1cccc(F)c1)C(=O)O
InChIInChI=1S/C10H12FNO4S/c1-10(2,9(13)14)12-17(15,16)8-5-3-4-7(11)6-8/h3-6,12H,1-2H3,(H,13,14)
InChIKeyZTRXIWBJYHHULP-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.97
Rot. Bonds4

About 2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid

2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 61262307) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
PubChem CID61262307
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(C)(NS(=O)(=O)c1cccc(F)c1)C(=O)O
InChIInChI=1S/C10H12FNO4S/c1-10(2,9(13)14)12-17(15,16)8-5-3-4-7(11)6-8/h3-6,12H,1-2H3,(H,13,14)
InChIKeyZTRXIWBJYHHULP-UHFFFAOYSA-N
XLogP0.97
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 61263607
2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263769
2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263772
2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 61263224
2-[[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-methylpropanoic acid
CID 71246717
2-[(3-fluorophenyl)sulfonylamino]-3-methyl-3-sulfanylbutanoic acid
CID 16776066
3-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82724295
N-(benzenesulfonyl)-3-fluorobenzenesulfonamide
CID 170984094
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide
CID 115310585
N-(3-cyanopentan-3-yl)-3-fluorobenzenesulfonamide
CID 61123913
2-[[(3-fluorophenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65221060
N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 115307970

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid (CID 61262307) is 2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid is CC(C)(NS(=O)(=O)c1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid?
The InChIKey is ZTRXIWBJYHHULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-10(2,9(13)14)12-17(15,16)8-5-3-4-7(11)6-8/h3-6,12H,1-2H3,(H,13,14).
What are the key properties of 2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid?
2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 261.27 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid is sourced from PubChem (CID 61262307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).