2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid

C15H13F2NO5S — CID 4609431

IUPAC2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)O)c1F
InChIInChI=1S/C15H13F2NO5S/c1-23-11-5-3-2-4-9(11)8-18-24(21,22)12-7-6-10(16)13(14(12)17)15(19)20/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyKAFKEMAHIXUZIS-UHFFFAOYSA-N
MW357.33 g/mol
LogP2.15
Rot. Bonds6

About 2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid

2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid (PubChem CID 4609431) has the molecular formula C15H13F2NO5S and a molecular weight of 357.33 g/mol. Its IUPAC name is 2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid
PubChem CID4609431
Molecular FormulaC15H13F2NO5S
Molecular Weight357.33 g/mol
Exact Mass357.05
IUPAC Name2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)O)c1F
InChIInChI=1S/C15H13F2NO5S/c1-23-11-5-3-2-4-9(11)8-18-24(21,22)12-7-6-10(16)13(14(12)17)15(19)20/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyKAFKEMAHIXUZIS-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43363772
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
2,6-difluoro-3-[3-(methylamino)propylsulfamoyl]benzoic acid
CID 61404116
2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid
CID 61285438
3-[(2,5-dimethoxyphenyl)methylsulfamoyl]-4-fluorobenzoic acid
CID 9160130
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 43454817
2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid
CID 43737081
3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid
CID 63183498
N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 86984270
2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4096626
2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094918
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid?
The IUPAC name of 2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid (CID 4609431) is 2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid?
The canonical SMILES for 2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid is COc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)O)c1F.
What is the InChIKey of 2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid?
The InChIKey is KAFKEMAHIXUZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO5S/c1-23-11-5-3-2-4-9(11)8-18-24(21,22)12-7-6-10(16)13(14(12)17)15(19)20/h2-7,18H,8H2,1H3,(H,19,20).
What are the key properties of 2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid?
2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid has a molecular weight of 357.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid is sourced from PubChem (CID 4609431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).