3-fluoro-4-methyl-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid

C11H9FN2O4S2 — CID 43510369

IUPAC3-fluoro-4-methyl-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
SMILESCc1c(F)cc(C(=O)O)cc1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C11H9FN2O4S2/c1-6-8(12)4-7(10(15)16)5-9(6)20(17,18)14-11-13-2-3-19-11/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyYTDCOCMVVZPMHB-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.09
Rot. Bonds4

About 3-fluoro-4-methyl-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid

3-fluoro-4-methyl-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid (PubChem CID 43510369) has the molecular formula C11H9FN2O4S2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
PubChem CID43510369
Molecular FormulaC11H9FN2O4S2
Molecular Weight316.34 g/mol
Exact Mass316.00
IUPAC Name3-fluoro-4-methyl-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
SMILESCc1c(F)cc(C(=O)O)cc1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C11H9FN2O4S2/c1-6-8(12)4-7(10(15)16)5-9(6)20(17,18)14-11-13-2-3-19-11/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyYTDCOCMVVZPMHB-UHFFFAOYSA-N
XLogP2.09
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 3-fluoro-4-methyl-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid (CID 43510369) is 3-fluoro-4-methyl-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-fluoro-4-methyl-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 3-fluoro-4-methyl-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid is Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)Nc1nccs1.
What is the InChIKey of 3-fluoro-4-methyl-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The InChIKey is YTDCOCMVVZPMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4S2/c1-6-8(12)4-7(10(15)16)5-9(6)20(17,18)14-11-13-2-3-19-11/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-fluoro-4-methyl-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
3-fluoro-4-methyl-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid has a molecular weight of 316.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 43510369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).