2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid

C11H9FN2O5S2 — CID 106379581

IUPAC2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2csc(=O)[nH]2)ccc1F
InChIInChI=1S/C11H9FN2O5S2/c12-9-2-1-7(3-8(9)10(15)16)21(18,19)13-4-6-5-20-11(17)14-6/h1-3,5,13H,4H2,(H,14,17)(H,15,16)
InChIKeyAAAUGWNIXHEHFV-UHFFFAOYSA-N
MW332.33 g/mol
LogP0.75
Rot. Bonds5

About 2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid

2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid (PubChem CID 106379581) has the molecular formula C11H9FN2O5S2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
PubChem CID106379581
Molecular FormulaC11H9FN2O5S2
Molecular Weight332.33 g/mol
Exact Mass331.99
IUPAC Name2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2csc(=O)[nH]2)ccc1F
InChIInChI=1S/C11H9FN2O5S2/c12-9-2-1-7(3-8(9)10(15)16)21(18,19)13-4-6-5-20-11(17)14-6/h1-3,5,13H,4H2,(H,14,17)(H,15,16)
InChIKeyAAAUGWNIXHEHFV-UHFFFAOYSA-N
XLogP0.75
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-bromothiophen-2-yl)methylsulfamoyl]-2-fluorobenzoic acid
CID 60745473
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106382412
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106379579
4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383819
3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 103774906
3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106379584
2-amino-4-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 114181768
5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 106379599
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 106383315
2-fluoro-5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]benzoic acid
CID 104654829
3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106379297
4-(benzylsulfamoyl)-2-fluorobenzoic acid
CID 91441664

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid (CID 106379581) is 2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)NCc2csc(=O)[nH]2)ccc1F.
What is the InChIKey of 2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid?
The InChIKey is AAAUGWNIXHEHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O5S2/c12-9-2-1-7(3-8(9)10(15)16)21(18,19)13-4-6-5-20-11(17)14-6/h1-3,5,13H,4H2,(H,14,17)(H,15,16).
What are the key properties of 2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid?
2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid has a molecular weight of 332.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid is sourced from PubChem (CID 106379581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).