5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid

C12H11FN2O4S2 — CID 60675390

IUPAC5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid
SMILESCc1nc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)sc1C
InChIInChI=1S/C12H11FN2O4S2/c1-6-7(2)20-12(14-6)15-21(18,19)8-3-4-10(13)9(5-8)11(16)17/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyCJPXSDCGRLIPEF-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.40
Rot. Bonds4

About 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid

5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid (PubChem CID 60675390) has the molecular formula C12H11FN2O4S2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid
PubChem CID60675390
Molecular FormulaC12H11FN2O4S2
Molecular Weight330.36 g/mol
Exact Mass330.01
IUPAC Name5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid
SMILESCc1nc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)sc1C
InChIInChI=1S/C12H11FN2O4S2/c1-6-7(2)20-12(14-6)15-21(18,19)8-3-4-10(13)9(5-8)11(16)17/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyCJPXSDCGRLIPEF-UHFFFAOYSA-N
XLogP2.40
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.40
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
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 60675416
3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60675322
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 61466424
4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 106919743
2-carboxy-4-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]phenolate
CID 54694024
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760475
2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid
CID 83096922
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
CID 17399738
2-chloro-5-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid
CID 39855236
2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide
CID 63288690
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61471934

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid?
The IUPAC name of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid (CID 60675390) is 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid?
The canonical SMILES for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid is Cc1nc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)sc1C.
What is the InChIKey of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid?
The InChIKey is CJPXSDCGRLIPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4S2/c1-6-7(2)20-12(14-6)15-21(18,19)8-3-4-10(13)9(5-8)11(16)17/h3-5H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid?
5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid has a molecular weight of 330.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid is sourced from PubChem (CID 60675390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).