5-(ethylsulfamoyl)-2-fluorobenzoic acid

C9H10FNO4S — CID 1252098

IUPAC5-(ethylsulfamoyl)-2-fluorobenzoic acid
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C9H10FNO4S/c1-2-11-16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5,11H,2H2,1H3,(H,12,13)
InChIKeyQBGVEYAQSZDGOH-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.82
Rot. Bonds4

About 5-(ethylsulfamoyl)-2-fluorobenzoic acid

5-(ethylsulfamoyl)-2-fluorobenzoic acid (PubChem CID 1252098) has the molecular formula C9H10FNO4S and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-fluorobenzoic acid
PubChem CID1252098
Molecular FormulaC9H10FNO4S
Molecular Weight247.25 g/mol
Exact Mass247.03
IUPAC Name5-(ethylsulfamoyl)-2-fluorobenzoic acid
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C9H10FNO4S/c1-2-11-16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5,11H,2H2,1H3,(H,12,13)
InChIKeyQBGVEYAQSZDGOH-UHFFFAOYSA-N
XLogP0.82
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Probenecid
CID 4911
Carzenide
CID 8739
4-((Diethylamino)sulfonyl)benzoic acid
CID 14604
2-Sulfamoylbenzoic acid
CID 69436
3-[(4-Methylpiperazin-1-yl)sulfonyl]benzoic acid
CID 1081456
4-(Dimethylsulfamoyl)benzoic acid
CID 14572
4-(Cyclopropylsulfamoyl)benzoic acid
CID 1134151
2-Fluoro-5-sulfamoylbenzoic acid
CID 2492684
3-[Bis(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 4280
2-(Benzylsulfamoyl)benzoic acid
CID 83379931
4-((Dibutylamino)sulfonyl)benzoic acid
CID 11032
3-(Pyrrolidine-1-sulfonyl)benzoic acid
CID 767690

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-fluorobenzoic acid?
The IUPAC name of 5-(ethylsulfamoyl)-2-fluorobenzoic acid (CID 1252098) is 5-(ethylsulfamoyl)-2-fluorobenzoic acid.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-fluorobenzoic acid?
The canonical SMILES for 5-(ethylsulfamoyl)-2-fluorobenzoic acid is CCNS(=O)(=O)c1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-fluorobenzoic acid?
The InChIKey is QBGVEYAQSZDGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4S/c1-2-11-16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5,11H,2H2,1H3,(H,12,13).
What are the key properties of 5-(ethylsulfamoyl)-2-fluorobenzoic acid?
5-(ethylsulfamoyl)-2-fluorobenzoic acid has a molecular weight of 247.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-fluorobenzoic acid is sourced from PubChem (CID 1252098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).