4-fluoro-2-hydroxy-5-[(5-prop-2-enyl-3-pyridinyl)sulfamoyl]benzamide

C15H14FN3O4S — CID 138473082

IUPAC4-fluoro-2-hydroxy-5-[(5-prop-2-enyl-3-pyridinyl)sulfamoyl]benzamide
SMILESC=CCc1cncc(NS(=O)(=O)c2cc(C(N)=O)c(O)cc2F)c1
InChIInChI=1S/C15H14FN3O4S/c1-2-3-9-4-10(8-18-7-9)19-24(22,23)14-5-11(15(17)21)13(20)6-12(14)16/h2,4-8,19-20H,1,3H2,(H2,17,21)
InChIKeyXMQXGQUCSFZSPX-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.55
Rot. Bonds6

About 4-fluoro-2-hydroxy-5-[(5-prop-2-enyl-3-pyridinyl)sulfamoyl]benzamide

4-fluoro-2-hydroxy-5-[(5-prop-2-enyl-3-pyridinyl)sulfamoyl]benzamide (PubChem CID 138473082) has the molecular formula C15H14FN3O4S and a molecular weight of 351.36 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-5-[(5-prop-2-enyl-3-pyridinyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-5-[(5-prop-2-enyl-3-pyridinyl)sulfamoyl]benzamide
PubChem CID138473082
Molecular FormulaC15H14FN3O4S
Molecular Weight351.36 g/mol
Exact Mass351.07
IUPAC Name4-fluoro-2-hydroxy-5-[(5-prop-2-enyl-3-pyridinyl)sulfamoyl]benzamide
SMILESC=CCc1cncc(NS(=O)(=O)c2cc(C(N)=O)c(O)cc2F)c1
InChIInChI=1S/C15H14FN3O4S/c1-2-3-9-4-10(8-18-7-9)19-24(22,23)14-5-11(15(17)21)13(20)6-12(14)16/h2,4-8,19-20H,1,3H2,(H2,17,21)
InChIKeyXMQXGQUCSFZSPX-UHFFFAOYSA-N
XLogP1.55
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-5-[(5-prop-2-enyl-3-pyridinyl)sulfamoyl]benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-5-[(5-prop-2-enyl-3-pyridinyl)sulfamoyl]benzamide (CID 138473082) is 4-fluoro-2-hydroxy-5-[(5-prop-2-enyl-3-pyridinyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-5-[(5-prop-2-enyl-3-pyridinyl)sulfamoyl]benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-5-[(5-prop-2-enyl-3-pyridinyl)sulfamoyl]benzamide is C=CCc1cncc(NS(=O)(=O)c2cc(C(N)=O)c(O)cc2F)c1.
What is the InChIKey of 4-fluoro-2-hydroxy-5-[(5-prop-2-enyl-3-pyridinyl)sulfamoyl]benzamide?
The InChIKey is XMQXGQUCSFZSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O4S/c1-2-3-9-4-10(8-18-7-9)19-24(22,23)14-5-11(15(17)21)13(20)6-12(14)16/h2,4-8,19-20H,1,3H2,(H2,17,21).
What are the key properties of 4-fluoro-2-hydroxy-5-[(5-prop-2-enyl-3-pyridinyl)sulfamoyl]benzamide?
4-fluoro-2-hydroxy-5-[(5-prop-2-enyl-3-pyridinyl)sulfamoyl]benzamide has a molecular weight of 351.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-5-[(5-prop-2-enyl-3-pyridinyl)sulfamoyl]benzamide is sourced from PubChem (CID 138473082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).