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

C11H9FN2O4S2 — CID 79187066

IUPAC3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
SMILESCc1cnc(NS(=O)(=O)c2ccc(C(=O)O)cc2F)s1
InChIInChI=1S/C11H9FN2O4S2/c1-6-5-13-11(19-6)14-20(17,18)9-3-2-7(10(15)16)4-8(9)12/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyWTYMGXOGCZOAKE-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.09
Rot. Bonds4

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

3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid (PubChem CID 79187066) has the molecular formula C11H9FN2O4S2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
PubChem CID79187066
Molecular FormulaC11H9FN2O4S2
Molecular Weight316.34 g/mol
Exact Mass316.00
IUPAC Name3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
SMILESCc1cnc(NS(=O)(=O)c2ccc(C(=O)O)cc2F)s1
InChIInChI=1S/C11H9FN2O4S2/c1-6-5-13-11(19-6)14-20(17,18)9-3-2-7(10(15)16)4-8(9)12/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyWTYMGXOGCZOAKE-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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Related Compounds

4-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-3-fluorobenzoic acid
CID 79177691
2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 11485390
2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28548844
3-fluoro-4-(phenylsulfamoyl)benzoic acid
CID 79040936
3-fluoro-4-[(5-methylthiophen-2-yl)methylsulfamoyl]benzoic acid
CID 79177879
3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4,5-difluorobenzoic acid
CID 105112964
3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
CID 79040867
4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29294416
3-(aminomethyl)-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106060889
5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106060941
2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 175775889
4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide
CID 29052014

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid (CID 79187066) is 3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid is Cc1cnc(NS(=O)(=O)c2ccc(C(=O)O)cc2F)s1.
What is the InChIKey of 3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
The InChIKey is WTYMGXOGCZOAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4S2/c1-6-5-13-11(19-6)14-20(17,18)9-3-2-7(10(15)16)4-8(9)12/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]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-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 79187066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).