5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid

C11H7ClFN3O4S — CID 43616100

IUPAC5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(S(=O)(=O)Nc2cnccn2)c1F
InChIInChI=1S/C11H7ClFN3O4S/c12-6-3-7(11(17)18)10(13)8(4-6)21(19,20)16-9-5-14-1-2-15-9/h1-5H,(H,15,16)(H,17,18)
InChIKeyFKVBSTDPDRXQRR-UHFFFAOYSA-N
MW331.71 g/mol
LogP1.77
Rot. Bonds4

About 5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid

5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid (PubChem CID 43616100) has the molecular formula C11H7ClFN3O4S and a molecular weight of 331.71 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid
PubChem CID43616100
Molecular FormulaC11H7ClFN3O4S
Molecular Weight331.71 g/mol
Exact Mass330.98
IUPAC Name5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(S(=O)(=O)Nc2cnccn2)c1F
InChIInChI=1S/C11H7ClFN3O4S/c12-6-3-7(11(17)18)10(13)8(4-6)21(19,20)16-9-5-14-1-2-15-9/h1-5H,(H,15,16)(H,17,18)
InChIKeyFKVBSTDPDRXQRR-UHFFFAOYSA-N
XLogP1.77
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.71
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid (CID 43616100) is 5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid is O=C(O)c1cc(Cl)cc(S(=O)(=O)Nc2cnccn2)c1F.
What is the InChIKey of 5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid?
The InChIKey is FKVBSTDPDRXQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O4S/c12-6-3-7(11(17)18)10(13)8(4-6)21(19,20)16-9-5-14-1-2-15-9/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid?
5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid has a molecular weight of 331.71 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 43616100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).