5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid

C13H12FNO5S — CID 81350795

IUPAC5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid
SMILESC[C@@H](NS(=O)(=O)c1ccc(C(=O)O)o1)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO5S/c1-8(9-2-4-10(14)5-3-9)15-21(18,19)12-7-6-11(20-12)13(16)17/h2-8,15H,1H3,(H,16,17)/t8-/m1/s1
InChIKeySSVXKOMLXMPXRI-MRVPVSSYSA-N
MW313.31 g/mol
LogP2.16
Rot. Bonds5

About 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid

5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 81350795) has the molecular formula C13H12FNO5S and a molecular weight of 313.31 g/mol. Its IUPAC name is 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid
PubChem CID81350795
Molecular FormulaC13H12FNO5S
Molecular Weight313.31 g/mol
Exact Mass313.04
IUPAC Name5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid
SMILESC[C@@H](NS(=O)(=O)c1ccc(C(=O)O)o1)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO5S/c1-8(9-2-4-10(14)5-3-9)15-21(18,19)12-7-6-11(20-12)13(16)17/h2-8,15H,1H3,(H,16,17)/t8-/m1/s1
InChIKeySSVXKOMLXMPXRI-MRVPVSSYSA-N
XLogP2.16
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid
CID 81369021
5-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid
CID 81370759
5-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 43149833
5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid
CID 62406823
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665
4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
CID 171777388
5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 43149868
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81349529

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid (CID 81350795) is 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid is C[C@@H](NS(=O)(=O)c1ccc(C(=O)O)o1)c1ccc(F)cc1.
What is the InChIKey of 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is SSVXKOMLXMPXRI-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12FNO5S/c1-8(9-2-4-10(14)5-3-9)15-21(18,19)12-7-6-11(20-12)13(16)17/h2-8,15H,1H3,(H,16,17)/t8-/m1/s1.
What are the key properties of 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid?
5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 313.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 81350795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).