2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid

C12H15FN2O5S — CID 66433060

IUPAC2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid
SMILESNS(=O)(=O)c1ccc(N2CCOC(CC(=O)O)C2)c(F)c1
InChIInChI=1S/C12H15FN2O5S/c13-10-6-9(21(14,18)19)1-2-11(10)15-3-4-20-8(7-15)5-12(16)17/h1-2,6,8H,3-5,7H2,(H,16,17)(H2,14,18,19)
InChIKeyCIVZDPQPYOCJEA-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.15
Rot. Bonds4

About 2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid

2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid (PubChem CID 66433060) has the molecular formula C12H15FN2O5S and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid
PubChem CID66433060
Molecular FormulaC12H15FN2O5S
Molecular Weight318.33 g/mol
Exact Mass318.07
IUPAC Name2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid
SMILESNS(=O)(=O)c1ccc(N2CCOC(CC(=O)O)C2)c(F)c1
InChIInChI=1S/C12H15FN2O5S/c13-10-6-9(21(14,18)19)1-2-11(10)15-3-4-20-8(7-15)5-12(16)17/h1-2,6,8H,3-5,7H2,(H,16,17)(H2,14,18,19)
InChIKeyCIVZDPQPYOCJEA-UHFFFAOYSA-N
XLogP0.15
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic 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-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
CID 81219360
2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid
CID 81195386
2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid
CID 66433243
2-[4-(3,4-difluorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433225
2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid
CID 43322690
2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid
CID 66435977
2-[4-(2-chloro-4-nitrophenyl)morpholin-2-yl]acetic acid
CID 66435372
2-[4-(5-fluoro-4-iodo-2-nitrophenyl)morpholin-2-yl]acetic acid
CID 66433636
2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid
CID 119247934
3-fluoro-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627808
4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
CID 81219831
4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-fluorobenzenesulfonamide
CID 115314626

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid (CID 66433060) is 2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid is NS(=O)(=O)c1ccc(N2CCOC(CC(=O)O)C2)c(F)c1.
What is the InChIKey of 2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid?
The InChIKey is CIVZDPQPYOCJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O5S/c13-10-6-9(21(14,18)19)1-2-11(10)15-3-4-20-8(7-15)5-12(16)17/h1-2,6,8H,3-5,7H2,(H,16,17)(H2,14,18,19).
What are the key properties of 2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid?
2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid has a molecular weight of 318.33 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).