3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid

C15H14FNO4S — CID 7516324

IUPAC3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO4S/c16-12-4-6-13(7-5-12)17-22(20,21)14-8-1-11(2-9-14)3-10-15(18)19/h1-2,4-9,17H,3,10H2,(H,18,19)
InChIKeyFCSTYLPPOAJOJX-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.64
Rot. Bonds6

About 3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid

3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid (PubChem CID 7516324) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid
PubChem CID7516324
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO4S/c16-12-4-6-13(7-5-12)17-22(20,21)14-8-1-11(2-9-14)3-10-15(18)19/h1-2,4-9,17H,3,10H2,(H,18,19)
InChIKeyFCSTYLPPOAJOJX-UHFFFAOYSA-N
XLogP2.64
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid
CID 3121000
4-[(4-Methylphenyl)sulfamoyl]benzoic acid
CID 2403526
4-[(3-Boronophenyl)sulfamoyl]benzoic acid
CID 52940008
N-(4-Aminobenzene-1-sulfonyl)phenylalanine
CID 3112772
4-(Phenylsulfamoyl)benzoic acid
CID 229359
3-{4-[(4-Methylphenyl)sulfamoyl]phenyl}propanoic acid
CID 973159
4-Fluoro-3-(phenylsulfamoyl)benzoic acid
CID 699907
4-[4-(Benzenesulfonylamino)-phenyl]-butyric acid
CID 9840035
4-((2-Methylphenyl)sulfamoyl)benzoic acid
CID 2357280
4-Benzenesulfonylaminophenylacetic acid
CID 10446995
2-Fluoro-6-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 11255312
4-(N-m-tolylsulfamoyl)benzoic acid
CID 25744005

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid (CID 7516324) is 3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid is O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid?
The InChIKey is FCSTYLPPOAJOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c16-12-4-6-13(7-5-12)17-22(20,21)14-8-1-11(2-9-14)3-10-15(18)19/h1-2,4-9,17H,3,10H2,(H,18,19).
What are the key properties of 3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid?
3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid has a molecular weight of 323.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid is sourced from PubChem (CID 7516324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).