2-fluoro-4-phenyl-3-sulfamoylbenzoic acid

C13H10FNO4S — CID 18976403

IUPAC2-fluoro-4-phenyl-3-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1c(-c2ccccc2)ccc(C(=O)O)c1F
InChIInChI=1S/C13H10FNO4S/c14-11-10(13(16)17)7-6-9(12(11)20(15,18)19)8-4-2-1-3-5-8/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyIBSFTULQFVSJKD-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.84
Rot. Bonds3

About 2-fluoro-4-phenyl-3-sulfamoylbenzoic acid

2-fluoro-4-phenyl-3-sulfamoylbenzoic acid (PubChem CID 18976403) has the molecular formula C13H10FNO4S and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-fluoro-4-phenyl-3-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-4-phenyl-3-sulfamoylbenzoic acid
PubChem CID18976403
Molecular FormulaC13H10FNO4S
Molecular Weight295.29 g/mol
Exact Mass295.03
IUPAC Name2-fluoro-4-phenyl-3-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1c(-c2ccccc2)ccc(C(=O)O)c1F
InChIInChI=1S/C13H10FNO4S/c14-11-10(13(16)17)7-6-9(12(11)20(15,18)19)8-4-2-1-3-5-8/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyIBSFTULQFVSJKD-UHFFFAOYSA-N
XLogP1.84
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-phenyl-3-sulfamoylbenzoic acid?
The IUPAC name of 2-fluoro-4-phenyl-3-sulfamoylbenzoic acid (CID 18976403) is 2-fluoro-4-phenyl-3-sulfamoylbenzoic acid.
What is the SMILES notation for 2-fluoro-4-phenyl-3-sulfamoylbenzoic acid?
The canonical SMILES for 2-fluoro-4-phenyl-3-sulfamoylbenzoic acid is NS(=O)(=O)c1c(-c2ccccc2)ccc(C(=O)O)c1F.
What is the InChIKey of 2-fluoro-4-phenyl-3-sulfamoylbenzoic acid?
The InChIKey is IBSFTULQFVSJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4S/c14-11-10(13(16)17)7-6-9(12(11)20(15,18)19)8-4-2-1-3-5-8/h1-7H,(H,16,17)(H2,15,18,19).
What are the key properties of 2-fluoro-4-phenyl-3-sulfamoylbenzoic acid?
2-fluoro-4-phenyl-3-sulfamoylbenzoic acid has a molecular weight of 295.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-phenyl-3-sulfamoylbenzoic acid is sourced from PubChem (CID 18976403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).