4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid

C12H11FN2O4S2 — CID 63242172

IUPAC4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(F)c(S(=O)(=O)NCCc2nccs2)c1
InChIInChI=1S/C12H11FN2O4S2/c13-9-2-1-8(12(16)17)7-10(9)21(18,19)15-4-3-11-14-5-6-20-11/h1-2,5-7,15H,3-4H2,(H,16,17)
InChIKeyZAUYNIZUJKGWBW-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.50
Rot. Bonds6

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

4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid (PubChem CID 63242172) has the molecular formula C12H11FN2O4S2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid
PubChem CID63242172
Molecular FormulaC12H11FN2O4S2
Molecular Weight330.36 g/mol
Exact Mass330.01
IUPAC Name4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(F)c(S(=O)(=O)NCCc2nccs2)c1
InChIInChI=1S/C12H11FN2O4S2/c13-9-2-1-8(12(16)17)7-10(9)21(18,19)15-4-3-11-14-5-6-20-11/h1-2,5-7,15H,3-4H2,(H,16,17)
InChIKeyZAUYNIZUJKGWBW-UHFFFAOYSA-N
XLogP1.50
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid
CID 3490945
5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238752
3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49355497
4-fluoro-3-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 63656617
4-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 61044081
3-cyano-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63239719
2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 82539161
2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 55219063
3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid
CID 9160242
4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid
CID 9160344
3-amino-5-chloro-2-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 103051424
4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 82844642

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid?
The IUPAC name of 4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid (CID 63242172) is 4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid is O=C(O)c1ccc(F)c(S(=O)(=O)NCCc2nccs2)c1.
What is the InChIKey of 4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid?
The InChIKey is ZAUYNIZUJKGWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4S2/c13-9-2-1-8(12(16)17)7-10(9)21(18,19)15-4-3-11-14-5-6-20-11/h1-2,5-7,15H,3-4H2,(H,16,17).
What are the key properties of 4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid?
4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid has a molecular weight of 330.36 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 63242172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).