4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid

C14H19FN2O5S — CID 4135399

IUPAC4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(S(=O)(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C14H19FN2O5S/c15-12-3-2-11(14(18)19)10-13(12)23(20,21)16-4-1-5-17-6-8-22-9-7-17/h2-3,10,16H,1,4-9H2,(H,18,19)
InChIKeyVNYXWDXVMWRMAI-UHFFFAOYSA-N
MW346.38 g/mol
LogP0.52
Rot. Bonds7

About 4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid

4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid (PubChem CID 4135399) has the molecular formula C14H19FN2O5S and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid
PubChem CID4135399
Molecular FormulaC14H19FN2O5S
Molecular Weight346.38 g/mol
Exact Mass346.10
IUPAC Name4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(S(=O)(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C14H19FN2O5S/c15-12-3-2-11(14(18)19)10-13(12)23(20,21)16-4-1-5-17-6-8-22-9-7-17/h2-3,10,16H,1,4-9H2,(H,18,19)
InChIKeyVNYXWDXVMWRMAI-UHFFFAOYSA-N
XLogP0.52
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 154741645
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3801591
3-[3-(ethylamino)propylsulfamoyl]-4-fluorobenzoic acid
CID 61403638
2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
3-methyl-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 62710111
2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47031499
4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid
CID 3490945
5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60609677
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239
4-fluoro-3-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]benzoic acid
CID 106099823
4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348296
3-(2,2-difluoroethylsulfamoyl)-4-fluorobenzoic acid
CID 113303553

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid?
The IUPAC name of 4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid (CID 4135399) is 4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid?
The canonical SMILES for 4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid is O=C(O)c1ccc(F)c(S(=O)(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid?
The InChIKey is VNYXWDXVMWRMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O5S/c15-12-3-2-11(14(18)19)10-13(12)23(20,21)16-4-1-5-17-6-8-22-9-7-17/h2-3,10,16H,1,4-9H2,(H,18,19).
What are the key properties of 4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid?
4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid has a molecular weight of 346.38 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid is sourced from PubChem (CID 4135399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).