4-fluoro-3-[(furan-3-ylsulfonylamino)methyl]benzoic acid

C12H10FNO5S — CID 146124466

IUPAC4-fluoro-3-[(furan-3-ylsulfonylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(F)c(CNS(=O)(=O)c2ccoc2)c1
InChIInChI=1S/C12H10FNO5S/c13-11-2-1-8(12(15)16)5-9(11)6-14-20(17,18)10-3-4-19-7-10/h1-5,7,14H,6H2,(H,15,16)
InChIKeyJQXGZHAWROUATG-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.60
Rot. Bonds5

About 4-fluoro-3-[(furan-3-ylsulfonylamino)methyl]benzoic acid

4-fluoro-3-[(furan-3-ylsulfonylamino)methyl]benzoic acid (PubChem CID 146124466) has the molecular formula C12H10FNO5S and a molecular weight of 299.28 g/mol. Its IUPAC name is 4-fluoro-3-[(furan-3-ylsulfonylamino)methyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[(furan-3-ylsulfonylamino)methyl]benzoic acid
PubChem CID146124466
Molecular FormulaC12H10FNO5S
Molecular Weight299.28 g/mol
Exact Mass299.03
IUPAC Name4-fluoro-3-[(furan-3-ylsulfonylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(F)c(CNS(=O)(=O)c2ccoc2)c1
InChIInChI=1S/C12H10FNO5S/c13-11-2-1-8(12(15)16)5-9(11)6-14-20(17,18)10-3-4-19-7-10/h1-5,7,14H,6H2,(H,15,16)
InChIKeyJQXGZHAWROUATG-UHFFFAOYSA-N
XLogP1.60
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[(benzylamino)methyl]-4-fluorobenzoic acid
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4-fluoro-3-[(2,4,5-trifluoroanilino)methyl]benzoic acid
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4-fluoro-3-[(3-methylpentan-3-ylamino)methyl]benzoic acid
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4-fluoro-3-[(oxetan-3-ylamino)methyl]benzoic acid
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4-fluoro-3-(furan-3-ylmethylsulfanyl)benzoic acid
CID 83172369
3-[(butan-2-ylamino)methyl]-4-fluorobenzoic acid
CID 107452341
3-[(5-chloro-2-fluoroanilino)methyl]-4-fluorobenzoic acid
CID 107452535
4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 3783005
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
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3-[(cyclohexylamino)methyl]-4-fluorobenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(furan-3-ylsulfonylamino)methyl]benzoic acid?
The IUPAC name of 4-fluoro-3-[(furan-3-ylsulfonylamino)methyl]benzoic acid (CID 146124466) is 4-fluoro-3-[(furan-3-ylsulfonylamino)methyl]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[(furan-3-ylsulfonylamino)methyl]benzoic acid?
The canonical SMILES for 4-fluoro-3-[(furan-3-ylsulfonylamino)methyl]benzoic acid is O=C(O)c1ccc(F)c(CNS(=O)(=O)c2ccoc2)c1.
What is the InChIKey of 4-fluoro-3-[(furan-3-ylsulfonylamino)methyl]benzoic acid?
The InChIKey is JQXGZHAWROUATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO5S/c13-11-2-1-8(12(15)16)5-9(11)6-14-20(17,18)10-3-4-19-7-10/h1-5,7,14H,6H2,(H,15,16).
What are the key properties of 4-fluoro-3-[(furan-3-ylsulfonylamino)methyl]benzoic acid?
4-fluoro-3-[(furan-3-ylsulfonylamino)methyl]benzoic acid has a molecular weight of 299.28 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(furan-3-ylsulfonylamino)methyl]benzoic acid is sourced from PubChem (CID 146124466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).