5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid

C10H11ClFNO5S — CID 54876142

IUPAC5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
SMILESCN(CCO)S(=O)(=O)c1cc(Cl)cc(C(=O)O)c1F
InChIInChI=1S/C10H11ClFNO5S/c1-13(2-3-14)19(17,18)8-5-6(11)4-7(9(8)12)10(15)16/h4-5,14H,2-3H2,1H3,(H,15,16)
InChIKeyOXLBZUYKZACAQX-UHFFFAOYSA-N
MW311.72 g/mol
LogP0.79
Rot. Bonds5

About 5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid

5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid (PubChem CID 54876142) has the molecular formula C10H11ClFNO5S and a molecular weight of 311.72 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
PubChem CID54876142
Molecular FormulaC10H11ClFNO5S
Molecular Weight311.72 g/mol
Exact Mass311.00
IUPAC Name5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
SMILESCN(CCO)S(=O)(=O)c1cc(Cl)cc(C(=O)O)c1F
InChIInChI=1S/C10H11ClFNO5S/c1-13(2-3-14)19(17,18)8-5-6(11)4-7(9(8)12)10(15)16/h4-5,14H,2-3H2,1H3,(H,15,16)
InChIKeyOXLBZUYKZACAQX-UHFFFAOYSA-N
XLogP0.79
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid?
The IUPAC name of 5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid (CID 54876142) is 5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid?
The canonical SMILES for 5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid is CN(CCO)S(=O)(=O)c1cc(Cl)cc(C(=O)O)c1F.
What is the InChIKey of 5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid?
The InChIKey is OXLBZUYKZACAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO5S/c1-13(2-3-14)19(17,18)8-5-6(11)4-7(9(8)12)10(15)16/h4-5,14H,2-3H2,1H3,(H,15,16).
What are the key properties of 5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid?
5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid has a molecular weight of 311.72 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 54876142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).