5-(dimethylsulfamoyl)-4-fluoro-2-hydroxybenzoic acid

C9H10FNO5S — CID 155168011

IUPAC5-(dimethylsulfamoyl)-4-fluoro-2-hydroxybenzoic acid
SMILESCN(C)S(=O)(=O)c1cc(C(=O)O)c(O)cc1F
InChIInChI=1S/C9H10FNO5S/c1-11(2)17(15,16)8-3-5(9(13)14)7(12)4-6(8)10/h3-4,12H,1-2H3,(H,13,14)
InChIKeyYFCCUIREDVWYLC-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.48
Rot. Bonds3

About 5-(dimethylsulfamoyl)-4-fluoro-2-hydroxybenzoic acid

5-(dimethylsulfamoyl)-4-fluoro-2-hydroxybenzoic acid (PubChem CID 155168011) has the molecular formula C9H10FNO5S and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-4-fluoro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-4-fluoro-2-hydroxybenzoic acid
PubChem CID155168011
Molecular FormulaC9H10FNO5S
Molecular Weight263.25 g/mol
Exact Mass263.03
IUPAC Name5-(dimethylsulfamoyl)-4-fluoro-2-hydroxybenzoic acid
SMILESCN(C)S(=O)(=O)c1cc(C(=O)O)c(O)cc1F
InChIInChI=1S/C9H10FNO5S/c1-11(2)17(15,16)8-3-5(9(13)14)7(12)4-6(8)10/h3-4,12H,1-2H3,(H,13,14)
InChIKeyYFCCUIREDVWYLC-UHFFFAOYSA-N
XLogP0.48
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-4-fluoro-2-hydroxybenzoic acid?
The IUPAC name of 5-(dimethylsulfamoyl)-4-fluoro-2-hydroxybenzoic acid (CID 155168011) is 5-(dimethylsulfamoyl)-4-fluoro-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(dimethylsulfamoyl)-4-fluoro-2-hydroxybenzoic acid?
The canonical SMILES for 5-(dimethylsulfamoyl)-4-fluoro-2-hydroxybenzoic acid is CN(C)S(=O)(=O)c1cc(C(=O)O)c(O)cc1F.
What is the InChIKey of 5-(dimethylsulfamoyl)-4-fluoro-2-hydroxybenzoic acid?
The InChIKey is YFCCUIREDVWYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO5S/c1-11(2)17(15,16)8-3-5(9(13)14)7(12)4-6(8)10/h3-4,12H,1-2H3,(H,13,14).
What are the key properties of 5-(dimethylsulfamoyl)-4-fluoro-2-hydroxybenzoic acid?
5-(dimethylsulfamoyl)-4-fluoro-2-hydroxybenzoic acid has a molecular weight of 263.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-4-fluoro-2-hydroxybenzoic acid is sourced from PubChem (CID 155168011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).