5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid

C9H9ClFNO5S — CID 43498357

IUPAC5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(S(=O)(=O)NCCO)c1F
InChIInChI=1S/C9H9ClFNO5S/c10-5-3-6(9(14)15)8(11)7(4-5)18(16,17)12-1-2-13/h3-4,12-13H,1-2H2,(H,14,15)
InChIKeySHWXGMOIPWVNCQ-UHFFFAOYSA-N
MW297.69 g/mol
LogP0.45
Rot. Bonds5

About 5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid

5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid (PubChem CID 43498357) has the molecular formula C9H9ClFNO5S and a molecular weight of 297.69 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid
PubChem CID43498357
Molecular FormulaC9H9ClFNO5S
Molecular Weight297.69 g/mol
Exact Mass296.99
IUPAC Name5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(S(=O)(=O)NCCO)c1F
InChIInChI=1S/C9H9ClFNO5S/c10-5-3-6(9(14)15)8(11)7(4-5)18(16,17)12-1-2-13/h3-4,12-13H,1-2H2,(H,14,15)
InChIKeySHWXGMOIPWVNCQ-UHFFFAOYSA-N
XLogP0.45
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid
CID 43141064
5-chloro-2-fluoro-3-(4-methylpentylsulfamoyl)benzoic acid
CID 61044021
5-chloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-fluorobenzoic acid
CID 43310943
5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120582
5-chloro-2-fluoro-3-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid
CID 65105646
5-chloro-3-(2,2-dimethoxyethylsulfamoyl)-2-fluorobenzoic acid
CID 79538524
5-chloro-2-fluoro-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]benzoic acid
CID 79236454
5-chloro-3-ethylsulfonyl-2-fluorobenzoic acid
CID 43140650
2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid
CID 63225908
3-[(2-amino-2-oxoethoxy)sulfamoyl]-5-chloro-2-fluorobenzoic acid
CID 115992025
5-chloro-2-fluoro-3-(2-fluoroethylsulfonyl)benzoic acid
CID 80694120
5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
CID 54876142

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid?
The IUPAC name of 5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid (CID 43498357) is 5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid?
The canonical SMILES for 5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid is O=C(O)c1cc(Cl)cc(S(=O)(=O)NCCO)c1F.
What is the InChIKey of 5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid?
The InChIKey is SHWXGMOIPWVNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO5S/c10-5-3-6(9(14)15)8(11)7(4-5)18(16,17)12-1-2-13/h3-4,12-13H,1-2H2,(H,14,15).
What are the key properties of 5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid?
5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid has a molecular weight of 297.69 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid is sourced from PubChem (CID 43498357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).