5-(2-fluoro-4-sulfamoylphenyl)-2,3,4-trimethoxybenzoic acid

C16H16FNO7S — CID 155918140

IUPAC5-(2-fluoro-4-sulfamoylphenyl)-2,3,4-trimethoxybenzoic acid
SMILESCOc1c(C(=O)O)cc(-c2ccc(S(N)(=O)=O)cc2F)c(OC)c1OC
InChIInChI=1S/C16H16FNO7S/c1-23-13-10(7-11(16(19)20)14(24-2)15(13)25-3)9-5-4-8(6-12(9)17)26(18,21)22/h4-7H,1-3H3,(H,19,20)(H2,18,21,22)
InChIKeyLZRDYFVMIZGTMZ-UHFFFAOYSA-N
MW385.37 g/mol
LogP1.86
Rot. Bonds6

About 5-(2-fluoro-4-sulfamoylphenyl)-2,3,4-trimethoxybenzoic acid

5-(2-fluoro-4-sulfamoylphenyl)-2,3,4-trimethoxybenzoic acid (PubChem CID 155918140) has the molecular formula C16H16FNO7S and a molecular weight of 385.37 g/mol. Its IUPAC name is 5-(2-fluoro-4-sulfamoylphenyl)-2,3,4-trimethoxybenzoic acid.

Molecular Properties

Compound Name5-(2-fluoro-4-sulfamoylphenyl)-2,3,4-trimethoxybenzoic acid
PubChem CID155918140
Molecular FormulaC16H16FNO7S
Molecular Weight385.37 g/mol
Exact Mass385.06
IUPAC Name5-(2-fluoro-4-sulfamoylphenyl)-2,3,4-trimethoxybenzoic acid
SMILESCOc1c(C(=O)O)cc(-c2ccc(S(N)(=O)=O)cc2F)c(OC)c1OC
InChIInChI=1S/C16H16FNO7S/c1-23-13-10(7-11(16(19)20)14(24-2)15(13)25-3)9-5-4-8(6-12(9)17)26(18,21)22/h4-7H,1-3H3,(H,19,20)(H2,18,21,22)
InChIKeyLZRDYFVMIZGTMZ-UHFFFAOYSA-N
XLogP1.86
TPSA125.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-sulfamoylphenyl)-2,3,4-trimethoxybenzoic acid?
The IUPAC name of 5-(2-fluoro-4-sulfamoylphenyl)-2,3,4-trimethoxybenzoic acid (CID 155918140) is 5-(2-fluoro-4-sulfamoylphenyl)-2,3,4-trimethoxybenzoic acid.
What is the SMILES notation for 5-(2-fluoro-4-sulfamoylphenyl)-2,3,4-trimethoxybenzoic acid?
The canonical SMILES for 5-(2-fluoro-4-sulfamoylphenyl)-2,3,4-trimethoxybenzoic acid is COc1c(C(=O)O)cc(-c2ccc(S(N)(=O)=O)cc2F)c(OC)c1OC.
What is the InChIKey of 5-(2-fluoro-4-sulfamoylphenyl)-2,3,4-trimethoxybenzoic acid?
The InChIKey is LZRDYFVMIZGTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO7S/c1-23-13-10(7-11(16(19)20)14(24-2)15(13)25-3)9-5-4-8(6-12(9)17)26(18,21)22/h4-7H,1-3H3,(H,19,20)(H2,18,21,22).
What are the key properties of 5-(2-fluoro-4-sulfamoylphenyl)-2,3,4-trimethoxybenzoic acid?
5-(2-fluoro-4-sulfamoylphenyl)-2,3,4-trimethoxybenzoic acid has a molecular weight of 385.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-sulfamoylphenyl)-2,3,4-trimethoxybenzoic acid is sourced from PubChem (CID 155918140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).