2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid

C13H16FNO5S — CID 43421894

IUPAC2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
SMILESCC(NS(=O)(=O)c1ccc(F)c(C(=O)O)c1)C1CCCO1
InChIInChI=1S/C13H16FNO5S/c1-8(12-3-2-6-20-12)15-21(18,19)9-4-5-11(14)10(7-9)13(16)17/h4-5,7-8,12,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyFAQFYXJGNXMOFL-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.37
Rot. Bonds5

About 2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid

2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid (PubChem CID 43421894) has the molecular formula C13H16FNO5S and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
PubChem CID43421894
Molecular FormulaC13H16FNO5S
Molecular Weight317.34 g/mol
Exact Mass317.07
IUPAC Name2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
SMILESCC(NS(=O)(=O)c1ccc(F)c(C(=O)O)c1)C1CCCO1
InChIInChI=1S/C13H16FNO5S/c1-8(12-3-2-6-20-12)15-21(18,19)9-4-5-11(14)10(7-9)13(16)17/h4-5,7-8,12,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyFAQFYXJGNXMOFL-UHFFFAOYSA-N
XLogP1.37
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 6465192
N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42955258
3-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 43533875
N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 60873458
3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride
CID 43533925
3-amino-5-fluoro-4-methyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 116791500
5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid
CID 115591315
4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 43612644
5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 62829523
2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
CID 81389268
2-hydroxy-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 81241326
5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid
CID 103962627

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid (CID 43421894) is 2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid is CC(NS(=O)(=O)c1ccc(F)c(C(=O)O)c1)C1CCCO1.
What is the InChIKey of 2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid?
The InChIKey is FAQFYXJGNXMOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO5S/c1-8(12-3-2-6-20-12)15-21(18,19)9-4-5-11(14)10(7-9)13(16)17/h4-5,7-8,12,15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid?
2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid has a molecular weight of 317.34 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 43421894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).