2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenyl]acetic acid

C15H14FNO4S — CID 54239430

IUPAC2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenyl]acetic acid
SMILESCc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1CC(=O)O
InChIInChI=1S/C15H14FNO4S/c1-10-8-14(7-2-11(10)9-15(18)19)22(20,21)17-13-5-3-12(16)4-6-13/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyQOYGFVHGCJYKSS-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.56
Rot. Bonds5

About 2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenyl]acetic acid

2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenyl]acetic acid (PubChem CID 54239430) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenyl]acetic acid
PubChem CID54239430
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenyl]acetic acid
SMILESCc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1CC(=O)O
InChIInChI=1S/C15H14FNO4S/c1-10-8-14(7-2-11(10)9-15(18)19)22(20,21)17-13-5-3-12(16)4-6-13/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyQOYGFVHGCJYKSS-UHFFFAOYSA-N
XLogP2.56
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenyl]acetic acid?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenyl]acetic acid (CID 54239430) is 2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenyl]acetic acid is Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1CC(=O)O.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenyl]acetic acid?
The InChIKey is QOYGFVHGCJYKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-10-8-14(7-2-11(10)9-15(18)19)22(20,21)17-13-5-3-12(16)4-6-13/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of 2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenyl]acetic acid?
2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenyl]acetic acid has a molecular weight of 323.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenyl]acetic acid is sourced from PubChem (CID 54239430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).