5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid

C11H13FN2O6S — CID 106168272

IUPAC5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid
SMILESCc1cc(S(=O)(=O)NCC(O)C(N)=O)cc(C(=O)O)c1F
InChIInChI=1S/C11H13FN2O6S/c1-5-2-6(3-7(9(5)12)11(17)18)21(19,20)14-4-8(15)10(13)16/h2-3,8,14-15H,4H2,1H3,(H2,13,16)(H,17,18)
InChIKeyFACZMEHVXXPEMX-UHFFFAOYSA-N
MW320.30 g/mol
LogP-1.04
Rot. Bonds6

About 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid

5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid (PubChem CID 106168272) has the molecular formula C11H13FN2O6S and a molecular weight of 320.30 g/mol. Its IUPAC name is 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid.

Molecular Properties

Compound Name5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid
PubChem CID106168272
Molecular FormulaC11H13FN2O6S
Molecular Weight320.30 g/mol
Exact Mass320.05
IUPAC Name5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid
SMILESCc1cc(S(=O)(=O)NCC(O)C(N)=O)cc(C(=O)O)c1F
InChIInChI=1S/C11H13FN2O6S/c1-5-2-6(3-7(9(5)12)11(17)18)21(19,20)14-4-8(15)10(13)16/h2-3,8,14-15H,4H2,1H3,(H2,13,16)(H,17,18)
InChIKeyFACZMEHVXXPEMX-UHFFFAOYSA-N
XLogP-1.04
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic 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

5-[(4-amino-4-oxobutyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid
CID 81426384
3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106169276
2-fluoro-5-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]-3-methylbenzoic acid
CID 115358276
2-fluoro-5-(5-hydroxypentylsulfamoyl)-3-methylbenzoic acid
CID 107316643
5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168283
5-(ethoxysulfamoyl)-2-fluoro-3-methylbenzoic acid
CID 81435615
5-(4-cyanobutylsulfamoyl)-2-fluoro-3-methylbenzoic acid
CID 81426683
3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106165069
2-fluoro-3-methyl-5-(thiolan-3-ylmethylsulfamoyl)benzoic acid
CID 107295136
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 106168362
5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-fluoro-3-methylbenzoic acid
CID 82924057
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 106168371

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid?
The IUPAC name of 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid (CID 106168272) is 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid.
What is the SMILES notation for 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid?
The canonical SMILES for 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid is Cc1cc(S(=O)(=O)NCC(O)C(N)=O)cc(C(=O)O)c1F.
What is the InChIKey of 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid?
The InChIKey is FACZMEHVXXPEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O6S/c1-5-2-6(3-7(9(5)12)11(17)18)21(19,20)14-4-8(15)10(13)16/h2-3,8,14-15H,4H2,1H3,(H2,13,16)(H,17,18).
What are the key properties of 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid?
5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid has a molecular weight of 320.30 g/mol, XLogP of -1.04, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid is sourced from PubChem (CID 106168272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).