3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid

C11H12FNO7S — CID 107216404

IUPAC3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
SMILESCOC(=O)C(O)CNS(=O)(=O)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C11H12FNO7S/c1-20-11(17)8(14)5-13-21(18,19)9-3-2-6(10(15)16)4-7(9)12/h2-4,8,13-14H,5H2,1H3,(H,15,16)
InChIKeyVLVBXEJTSIEFCB-UHFFFAOYSA-N
MW321.28 g/mol
LogP-0.66
Rot. Bonds6

About 3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid

3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid (PubChem CID 107216404) has the molecular formula C11H12FNO7S and a molecular weight of 321.28 g/mol. Its IUPAC name is 3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
PubChem CID107216404
Molecular FormulaC11H12FNO7S
Molecular Weight321.28 g/mol
Exact Mass321.03
IUPAC Name3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
SMILESCOC(=O)C(O)CNS(=O)(=O)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C11H12FNO7S/c1-20-11(17)8(14)5-13-21(18,19)9-3-2-6(10(15)16)4-7(9)12/h2-4,8,13-14H,5H2,1H3,(H,15,16)
InChIKeyVLVBXEJTSIEFCB-UHFFFAOYSA-N
XLogP-0.66
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]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-methoxy-2-oxoethyl)sulfamoyl]benzoic acid
CID 79187630
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid
CID 106168366
methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878696
3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 79187850
3-fluoro-4-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120547
4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 107216418
4-[2-(carbamoylamino)ethylsulfamoyl]-3-fluorobenzoic acid
CID 83116387
4-[(4-amino-4-oxobutyl)sulfamoyl]-3-fluorobenzoic acid
CID 79187711
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 106168371
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878708
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid
CID 106168352
3-(2,2-difluoroethylsulfamoyl)-4-fluorobenzoic acid
CID 113303553

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid (CID 107216404) is 3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid is COC(=O)C(O)CNS(=O)(=O)c1ccc(C(=O)O)cc1F.
What is the InChIKey of 3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid?
The InChIKey is VLVBXEJTSIEFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO7S/c1-20-11(17)8(14)5-13-21(18,19)9-3-2-6(10(15)16)4-7(9)12/h2-4,8,13-14H,5H2,1H3,(H,15,16).
What are the key properties of 3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid?
3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid has a molecular weight of 321.28 g/mol, XLogP of -0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 107216404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).