5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfamoyl]-2-fluorobenzoic acid

C11H10FNO6S2 — CID 60707841

IUPAC5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfamoyl]-2-fluorobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2C=CS(=O)(=O)C2)ccc1F
InChIInChI=1S/C11H10FNO6S2/c12-10-2-1-8(5-9(10)11(14)15)21(18,19)13-7-3-4-20(16,17)6-7/h1-5,7,13H,6H2,(H,14,15)
InChIKeyRJAVDBKAWNDENM-UHFFFAOYSA-N
MW335.33 g/mol
LogP0.11
Rot. Bonds4

About 5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfamoyl]-2-fluorobenzoic acid

5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfamoyl]-2-fluorobenzoic acid (PubChem CID 60707841) has the molecular formula C11H10FNO6S2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfamoyl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfamoyl]-2-fluorobenzoic acid
PubChem CID60707841
Molecular FormulaC11H10FNO6S2
Molecular Weight335.33 g/mol
Exact Mass334.99
IUPAC Name5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfamoyl]-2-fluorobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2C=CS(=O)(=O)C2)ccc1F
InChIInChI=1S/C11H10FNO6S2/c12-10-2-1-8(5-9(10)11(14)15)21(18,19)13-7-3-4-20(16,17)6-7/h1-5,7,13H,6H2,(H,14,15)
InChIKeyRJAVDBKAWNDENM-UHFFFAOYSA-N
XLogP0.11
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43081703
2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid
CID 104655230
2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid
CID 104654715
2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 103091356
5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-fluorobenzoic acid
CID 79188553
5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid
CID 115591315
5-cycloheptylsulfonyl-2-fluorobenzoic acid
CID 82928547
2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012947
2-fluoro-5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]benzoic acid
CID 107266428
5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide
CID 106269470
5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluorobenzoic acid
CID 43078608
2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 43421894

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfamoyl]-2-fluorobenzoic acid?
The IUPAC name of 5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfamoyl]-2-fluorobenzoic acid (CID 60707841) is 5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfamoyl]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfamoyl]-2-fluorobenzoic acid?
The canonical SMILES for 5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfamoyl]-2-fluorobenzoic acid is O=C(O)c1cc(S(=O)(=O)NC2C=CS(=O)(=O)C2)ccc1F.
What is the InChIKey of 5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfamoyl]-2-fluorobenzoic acid?
The InChIKey is RJAVDBKAWNDENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO6S2/c12-10-2-1-8(5-9(10)11(14)15)21(18,19)13-7-3-4-20(16,17)6-7/h1-5,7,13H,6H2,(H,14,15).
What are the key properties of 5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfamoyl]-2-fluorobenzoic acid?
5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfamoyl]-2-fluorobenzoic acid has a molecular weight of 335.33 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfamoyl]-2-fluorobenzoic acid is sourced from PubChem (CID 60707841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).