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

C13H12FNO5S — CID 43399440

IUPAC4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid
SMILESCC(NS(=O)(=O)c1cc(C(=O)O)ccc1F)c1ccco1
InChIInChI=1S/C13H12FNO5S/c1-8(11-3-2-6-20-11)15-21(18,19)12-7-9(13(16)17)4-5-10(12)14/h2-8,15H,1H3,(H,16,17)
InChIKeyNRJBPZPGEVIIPS-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.16
Rot. Bonds5

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

4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid (PubChem CID 43399440) has the molecular formula C13H12FNO5S and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid
PubChem CID43399440
Molecular FormulaC13H12FNO5S
Molecular Weight313.31 g/mol
Exact Mass313.04
IUPAC Name4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid
SMILESCC(NS(=O)(=O)c1cc(C(=O)O)ccc1F)c1ccco1
InChIInChI=1S/C13H12FNO5S/c1-8(11-3-2-6-20-11)15-21(18,19)12-7-9(13(16)17)4-5-10(12)14/h2-8,15H,1H3,(H,16,17)
InChIKeyNRJBPZPGEVIIPS-UHFFFAOYSA-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

4-fluoro-3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]benzoic acid
CID 81390367
3-fluoro-4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]benzoic acid
CID 81390250
2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817589
5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81409119
4-fluoro-3-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43084932
3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817807
4-fluoro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 61067117
2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 106491416
3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid
CID 81389280
2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide
CID 73419570
5-amino-2-fluoro-N-[1-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 80645561
4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43535672

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid?
The IUPAC name of 4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid (CID 43399440) is 4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid is CC(NS(=O)(=O)c1cc(C(=O)O)ccc1F)c1ccco1.
What is the InChIKey of 4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid?
The InChIKey is NRJBPZPGEVIIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO5S/c1-8(11-3-2-6-20-11)15-21(18,19)12-7-9(13(16)17)4-5-10(12)14/h2-8,15H,1H3,(H,16,17).
What are the key properties of 4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid?
4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic 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 4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 43399440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).