2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid

C10H12FNO4S — CID 43361295

IUPAC2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H12FNO4S/c1-7(10(13)14)12-17(15,16)6-8-2-4-9(11)5-3-8/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyCFPUGXSCHVQCSO-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.72
Rot. Bonds5

About 2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid

2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid (PubChem CID 43361295) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
PubChem CID43361295
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H12FNO4S/c1-7(10(13)14)12-17(15,16)6-8-2-4-9(11)5-3-8/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyCFPUGXSCHVQCSO-UHFFFAOYSA-N
XLogP0.72
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate
CID 60715311
(2S)-2-[(4-nitrophenyl)methylsulfonylamino]propanoic acid
CID 28523651
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270
2-[[(4-fluorophenyl)methylsulfonylamino]methyl]-3-methylbutanoic acid
CID 65220967
5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid
CID 82854872
methyl 2-[(4-fluorophenyl)methylsulfonylamino]-3-methylbutanoate
CID 43410348
2-[(4-fluorophenyl)methylsulfonylamino]-4-methoxybutanoic acid
CID 62478270
1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 94811590
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 32676505
1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
CID 43502310
(2S)-2-[(4-fluorophenyl)methylsulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51711263
(2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide
CID 94081674

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid (CID 43361295) is 2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid is CC(NS(=O)(=O)Cc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid?
The InChIKey is CFPUGXSCHVQCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-7(10(13)14)12-17(15,16)6-8-2-4-9(11)5-3-8/h2-5,7,12H,6H2,1H3,(H,13,14).
What are the key properties of 2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid?
2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid has a molecular weight of 261.27 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid is sourced from PubChem (CID 43361295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).