4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid

C14H12FNO5S — CID 777280

IUPAC4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1
InChIInChI=1S/C14H12FNO5S/c1-21-11-5-3-10(4-6-11)16-22(19,20)13-8-9(14(17)18)2-7-12(13)15/h2-8,16H,1H3,(H,17,18)
InChIKeyJEMRLDDKWRHQCQ-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.33
Rot. Bonds5

About 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid

4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 777280) has the molecular formula C14H12FNO5S and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid
PubChem CID777280
Molecular FormulaC14H12FNO5S
Molecular Weight325.32 g/mol
Exact Mass325.04
IUPAC Name4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1
InChIInChI=1S/C14H12FNO5S/c1-21-11-5-3-10(4-6-11)16-22(19,20)13-8-9(14(17)18)2-7-12(13)15/h2-8,16H,1H3,(H,17,18)
InChIKeyJEMRLDDKWRHQCQ-UHFFFAOYSA-N
XLogP2.33
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid (CID 777280) is 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid is COc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1.
What is the InChIKey of 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is JEMRLDDKWRHQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO5S/c1-21-11-5-3-10(4-6-11)16-22(19,20)13-8-9(14(17)18)2-7-12(13)15/h2-8,16H,1H3,(H,17,18).
What are the key properties of 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 325.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 777280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).