2-[(2-fluorophenyl)methylsulfamoyl]propanoic acid

C10H12FNO4S — CID 54947740

IUPAC2-[(2-fluorophenyl)methylsulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCc1ccccc1F
InChIInChI=1S/C10H12FNO4S/c1-7(10(13)14)17(15,16)12-6-8-4-2-3-5-9(8)11/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyBZCWOQXEPMOZGB-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.72
Rot. Bonds5

About 2-[(2-fluorophenyl)methylsulfamoyl]propanoic acid

2-[(2-fluorophenyl)methylsulfamoyl]propanoic acid (PubChem CID 54947740) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfamoyl]propanoic acid
PubChem CID54947740
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name2-[(2-fluorophenyl)methylsulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCc1ccccc1F
InChIInChI=1S/C10H12FNO4S/c1-7(10(13)14)17(15,16)12-6-8-4-2-3-5-9(8)11/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyBZCWOQXEPMOZGB-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

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3-(2-Phenylethenesulfonamido)propanoic acid
CID 2132791
2-(Phenylmethanesulfonamido)propanoic acid
CID 4083565
4-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid
CID 5717798
4-Phenylmethanesulfonylamino-butyric acid
CID 1913032
(2R)-2-amino-3-[(4-fluorosulfonylphenyl)methylsulfamoyl]propanoic acid
CID 90674781
N-[(4-fluorophenyl)methyl]ethanesulfonamide
CID 897917
N-[(2-fluorophenyl)methyl]ethanesulfonamide
CID 6466934
(N-benzylaminosulfonyl)acetic acid
CID 28773962
Methyl 2-[1-[(2-fluorophenyl)methylsulfamoylmethyl]cyclopropyl]acetate
CID 72106385

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfamoyl]propanoic acid?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfamoyl]propanoic acid (CID 54947740) is 2-[(2-fluorophenyl)methylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)NCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfamoyl]propanoic acid?
The InChIKey is BZCWOQXEPMOZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-7(10(13)14)17(15,16)12-6-8-4-2-3-5-9(8)11/h2-5,7,12H,6H2,1H3,(H,13,14).
What are the key properties of 2-[(2-fluorophenyl)methylsulfamoyl]propanoic acid?
2-[(2-fluorophenyl)methylsulfamoyl]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-[(2-fluorophenyl)methylsulfamoyl]propanoic acid is sourced from PubChem (CID 54947740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).