2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid

C11H8F2N2O4S2 — CID 61285438

IUPAC2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1c(F)ccc(S(=O)(=O)NCc2nccs2)c1F
InChIInChI=1S/C11H8F2N2O4S2/c12-6-1-2-7(10(13)9(6)11(16)17)21(18,19)15-5-8-14-3-4-20-8/h1-4,15H,5H2,(H,16,17)
InChIKeyATAFJLIKGNIRNI-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.60
Rot. Bonds5

About 2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid

2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid (PubChem CID 61285438) has the molecular formula C11H8F2N2O4S2 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid
PubChem CID61285438
Molecular FormulaC11H8F2N2O4S2
Molecular Weight334.33 g/mol
Exact Mass333.99
IUPAC Name2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1c(F)ccc(S(=O)(=O)NCc2nccs2)c1F
InChIInChI=1S/C11H8F2N2O4S2/c12-6-1-2-7(10(13)9(6)11(16)17)21(18,19)15-5-8-14-3-4-20-8/h1-4,15H,5H2,(H,16,17)
InChIKeyATAFJLIKGNIRNI-UHFFFAOYSA-N
XLogP1.60
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)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

2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43363772
2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 62056645
2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid
CID 30054012
4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid
CID 63242172
5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 61283860
2,6-difluoro-3-[3-(methylamino)propylsulfamoyl]benzoic acid
CID 61404116
3,4-dimethyl-5-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid
CID 61074119
4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440454
2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid
CID 4609431
methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate
CID 103833481
2-(aminomethyl)-5-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 102920624
4-fluoro-3-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 63656617

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid (CID 61285438) is 2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid is O=C(O)c1c(F)ccc(S(=O)(=O)NCc2nccs2)c1F.
What is the InChIKey of 2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid?
The InChIKey is ATAFJLIKGNIRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O4S2/c12-6-1-2-7(10(13)9(6)11(16)17)21(18,19)15-5-8-14-3-4-20-8/h1-4,15H,5H2,(H,16,17).
What are the key properties of 2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid?
2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid has a molecular weight of 334.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 61285438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).