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

C16H16FNO5S — CID 47060132

IUPAC2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C16H16FNO5S/c1-10-3-5-12(9-13(10)17)18-24(21,22)15-7-11(8-16(19)20)4-6-14(15)23-2/h3-7,9,18H,8H2,1-2H3,(H,19,20)
InChIKeyOMWGFVHBMITJHU-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.57
Rot. Bonds6

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

2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid (PubChem CID 47060132) has the molecular formula C16H16FNO5S and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
PubChem CID47060132
Molecular FormulaC16H16FNO5S
Molecular Weight353.37 g/mol
Exact Mass353.07
IUPAC Name2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C16H16FNO5S/c1-10-3-5-12(9-13(10)17)18-24(21,22)15-7-11(8-16(19)20)4-6-14(15)23-2/h3-7,9,18H,8H2,1-2H3,(H,19,20)
InChIKeyOMWGFVHBMITJHU-UHFFFAOYSA-N
XLogP2.57
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.57
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-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 56816264
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-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47072178
2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 28546366
2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060136
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid
CID 166229174
3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide
CID 34227801
N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
CID 60533583

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
The IUPAC name of 2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid (CID 47060132) is 2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid is COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of 2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
The InChIKey is OMWGFVHBMITJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO5S/c1-10-3-5-12(9-13(10)17)18-24(21,22)15-7-11(8-16(19)20)4-6-14(15)23-2/h3-7,9,18H,8H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid has a molecular weight of 353.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid is sourced from PubChem (CID 47060132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).