2,6-difluoro-3-(propylsulfonylamino)benzoic acid

C10H11F2NO4S — CID 46192923

IUPAC2,6-difluoro-3-(propylsulfonylamino)benzoic acid
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1F
InChIInChI=1S/C10H11F2NO4S/c1-2-5-18(16,17)13-7-4-3-6(11)8(9(7)12)10(14)15/h3-4,13H,2,5H2,1H3,(H,14,15)
InChIKeyRTAWCKGXCGSFJI-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.81
Rot. Bonds5

About 2,6-difluoro-3-(propylsulfonylamino)benzoic acid

2,6-difluoro-3-(propylsulfonylamino)benzoic acid (PubChem CID 46192923) has the molecular formula C10H11F2NO4S and a molecular weight of 279.26 g/mol. Its IUPAC name is 2,6-difluoro-3-(propylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name2,6-difluoro-3-(propylsulfonylamino)benzoic acid
PubChem CID46192923
Molecular FormulaC10H11F2NO4S
Molecular Weight279.26 g/mol
Exact Mass279.04
IUPAC Name2,6-difluoro-3-(propylsulfonylamino)benzoic acid
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1F
InChIInChI=1S/C10H11F2NO4S/c1-2-5-18(16,17)13-7-4-3-6(11)8(9(7)12)10(14)15/h3-4,13H,2,5H2,1H3,(H,14,15)
InChIKeyRTAWCKGXCGSFJI-UHFFFAOYSA-N
XLogP1.81
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(propylsulfonylamino)benzoic acid?
The IUPAC name of 2,6-difluoro-3-(propylsulfonylamino)benzoic acid (CID 46192923) is 2,6-difluoro-3-(propylsulfonylamino)benzoic acid.
What is the SMILES notation for 2,6-difluoro-3-(propylsulfonylamino)benzoic acid?
The canonical SMILES for 2,6-difluoro-3-(propylsulfonylamino)benzoic acid is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1F.
What is the InChIKey of 2,6-difluoro-3-(propylsulfonylamino)benzoic acid?
The InChIKey is RTAWCKGXCGSFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4S/c1-2-5-18(16,17)13-7-4-3-6(11)8(9(7)12)10(14)15/h3-4,13H,2,5H2,1H3,(H,14,15).
What are the key properties of 2,6-difluoro-3-(propylsulfonylamino)benzoic acid?
2,6-difluoro-3-(propylsulfonylamino)benzoic acid has a molecular weight of 279.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(propylsulfonylamino)benzoic acid is sourced from PubChem (CID 46192923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).