3,4-difluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid

C11H8F2N2O4S2 — CID 105111278

IUPAC3,4-difluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
SMILESCc1cnc(NS(=O)(=O)c2cc(C(=O)O)cc(F)c2F)s1
InChIInChI=1S/C11H8F2N2O4S2/c1-5-4-14-11(20-5)15-21(18,19)8-3-6(10(16)17)2-7(12)9(8)13/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyHFAQVKFENIISSY-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.23
Rot. Bonds4

About 3,4-difluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid

3,4-difluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid (PubChem CID 105111278) has the molecular formula C11H8F2N2O4S2 and a molecular weight of 334.33 g/mol. Its IUPAC name is 3,4-difluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3,4-difluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
PubChem CID105111278
Molecular FormulaC11H8F2N2O4S2
Molecular Weight334.33 g/mol
Exact Mass333.99
IUPAC Name3,4-difluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
SMILESCc1cnc(NS(=O)(=O)c2cc(C(=O)O)cc(F)c2F)s1
InChIInChI=1S/C11H8F2N2O4S2/c1-5-4-14-11(20-5)15-21(18,19)8-3-6(10(16)17)2-7(12)9(8)13/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyHFAQVKFENIISSY-UHFFFAOYSA-N
XLogP2.23
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,4-difluoro-5-[(5-methyl-1,3-thiazol-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 3,4-difluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid (CID 105111278) is 3,4-difluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3,4-difluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 3,4-difluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid is Cc1cnc(NS(=O)(=O)c2cc(C(=O)O)cc(F)c2F)s1.
What is the InChIKey of 3,4-difluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
The InChIKey is HFAQVKFENIISSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O4S2/c1-5-4-14-11(20-5)15-21(18,19)8-3-6(10(16)17)2-7(12)9(8)13/h2-4H,1H3,(H,14,15)(H,16,17).
What are the key properties of 3,4-difluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
3,4-difluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid has a molecular weight of 334.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 105111278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).