5-[(4-fluorophenyl)methylsulfamoyl]-2-hydroxybenzoic acid

C14H12FNO5S — CID 4848533

IUPAC5-[(4-fluorophenyl)methylsulfamoyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1O
InChIInChI=1S/C14H12FNO5S/c15-10-3-1-9(2-4-10)8-16-22(20,21)11-5-6-13(17)12(7-11)14(18)19/h1-7,16-17H,8H2,(H,18,19)
InChIKeyWCMWVIZLQIMVTI-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.71
Rot. Bonds5

About 5-[(4-fluorophenyl)methylsulfamoyl]-2-hydroxybenzoic acid

5-[(4-fluorophenyl)methylsulfamoyl]-2-hydroxybenzoic acid (PubChem CID 4848533) has the molecular formula C14H12FNO5S and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylsulfamoyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylsulfamoyl]-2-hydroxybenzoic acid
PubChem CID4848533
Molecular FormulaC14H12FNO5S
Molecular Weight325.32 g/mol
Exact Mass325.04
IUPAC Name5-[(4-fluorophenyl)methylsulfamoyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1O
InChIInChI=1S/C14H12FNO5S/c15-10-3-1-9(2-4-10)8-16-22(20,21)11-5-6-13(17)12(7-11)14(18)19/h1-7,16-17H,8H2,(H,18,19)
InChIKeyWCMWVIZLQIMVTI-UHFFFAOYSA-N
XLogP1.71
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylsulfamoyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(4-fluorophenyl)methylsulfamoyl]-2-hydroxybenzoic acid (CID 4848533) is 5-[(4-fluorophenyl)methylsulfamoyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)methylsulfamoyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(4-fluorophenyl)methylsulfamoyl]-2-hydroxybenzoic acid is O=C(O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1O.
What is the InChIKey of 5-[(4-fluorophenyl)methylsulfamoyl]-2-hydroxybenzoic acid?
The InChIKey is WCMWVIZLQIMVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO5S/c15-10-3-1-9(2-4-10)8-16-22(20,21)11-5-6-13(17)12(7-11)14(18)19/h1-7,16-17H,8H2,(H,18,19).
What are the key properties of 5-[(4-fluorophenyl)methylsulfamoyl]-2-hydroxybenzoic acid?
5-[(4-fluorophenyl)methylsulfamoyl]-2-hydroxybenzoic acid has a molecular weight of 325.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylsulfamoyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 4848533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).