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

C15H13F2NO5S — CID 47060127

IUPAC2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO5S/c1-23-13-5-2-9(7-15(19)20)6-14(13)24(21,22)18-10-3-4-11(16)12(17)8-10/h2-6,8,18H,7H2,1H3,(H,19,20)
InChIKeyVOCPAFOXJYHUMM-UHFFFAOYSA-N
MW357.33 g/mol
LogP2.40
Rot. Bonds6

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

2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid (PubChem CID 47060127) has the molecular formula C15H13F2NO5S and a molecular weight of 357.33 g/mol. Its IUPAC name is 2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
PubChem CID47060127
Molecular FormulaC15H13F2NO5S
Molecular Weight357.33 g/mol
Exact Mass357.05
IUPAC Name2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO5S/c1-23-13-5-2-9(7-15(19)20)6-14(13)24(21,22)18-10-3-4-11(16)12(17)8-10/h2-6,8,18H,7H2,1H3,(H,19,20)
InChIKeyVOCPAFOXJYHUMM-UHFFFAOYSA-N
XLogP2.40
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060132
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
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47072178
2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060136
N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773465
3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid
CID 24656737
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
The IUPAC name of 2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid (CID 47060127) is 2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid is COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
The InChIKey is VOCPAFOXJYHUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO5S/c1-23-13-5-2-9(7-15(19)20)6-14(13)24(21,22)18-10-3-4-11(16)12(17)8-10/h2-6,8,18H,7H2,1H3,(H,19,20).
What are the key properties of 2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid has a molecular weight of 357.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid is sourced from PubChem (CID 47060127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).