3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoic acid

C15H14FNO4S — CID 7516425

IUPAC3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C15H14FNO4S/c16-13-3-1-2-4-14(13)17-22(20,21)12-8-5-11(6-9-12)7-10-15(18)19/h1-6,8-9,17H,7,10H2,(H,18,19)
InChIKeyMTGXMLZFVFYMTI-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.64
Rot. Bonds6

About 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoic acid

3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoic acid (PubChem CID 7516425) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoic acid
PubChem CID7516425
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C15H14FNO4S/c16-13-3-1-2-4-14(13)17-22(20,21)12-8-5-11(6-9-12)7-10-15(18)19/h1-6,8-9,17H,7,10H2,(H,18,19)
InChIKeyMTGXMLZFVFYMTI-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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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoic acid (CID 7516425) is 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoic acid is O=C(O)CCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoic acid?
The InChIKey is MTGXMLZFVFYMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c16-13-3-1-2-4-14(13)17-22(20,21)12-8-5-11(6-9-12)7-10-15(18)19/h1-6,8-9,17H,7,10H2,(H,18,19).
What are the key properties of 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoic acid?
3-[4-[(2-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-[(2-fluorophenyl)sulfamoyl]phenyl]propanoic acid is sourced from PubChem (CID 7516425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).