2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid

C15H14FNO5S — CID 56816264

IUPAC2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H14FNO5S/c1-22-13-7-2-10(9-15(18)19)8-14(13)23(20,21)17-12-5-3-11(16)4-6-12/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyYRNGQMYLICRKJM-UHFFFAOYSA-N
MW339.34 g/mol
LogP2.26
Rot. Bonds6

About 2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid

2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid (PubChem CID 56816264) has the molecular formula C15H14FNO5S and a molecular weight of 339.34 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
PubChem CID56816264
Molecular FormulaC15H14FNO5S
Molecular Weight339.34 g/mol
Exact Mass339.06
IUPAC Name2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H14FNO5S/c1-22-13-7-2-10(9-15(18)19)8-14(13)23(20,21)17-12-5-3-11(16)4-6-12/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyYRNGQMYLICRKJM-UHFFFAOYSA-N
XLogP2.26
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060127
2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060132
2-[3-[(2,5-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060124
2-[3-[(5-chloro-2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060143
2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060136
5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 850108
2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47072178
4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate
CID 7312195
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 32749964
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 850026
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
The IUPAC name of 2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid (CID 56816264) is 2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid is COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
The InChIKey is YRNGQMYLICRKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO5S/c1-22-13-7-2-10(9-15(18)19)8-14(13)23(20,21)17-12-5-3-11(16)4-6-12/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of 2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid has a molecular weight of 339.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid is sourced from PubChem (CID 56816264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).