5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid

C10H8N2O5S — CID 29077337

IUPAC5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccncc2)o1
InChIInChI=1S/C10H8N2O5S/c13-10(14)8-1-2-9(17-8)18(15,16)12-7-3-5-11-6-4-7/h1-6H,(H,11,12)(H,13,14)
InChIKeyLFJONXAJMPOBGM-UHFFFAOYSA-N
MW268.25 g/mol
LogP1.17
Rot. Bonds4

About 5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid

5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid (PubChem CID 29077337) has the molecular formula C10H8N2O5S and a molecular weight of 268.25 g/mol. Its IUPAC name is 5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid
PubChem CID29077337
Molecular FormulaC10H8N2O5S
Molecular Weight268.25 g/mol
Exact Mass268.02
IUPAC Name5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccncc2)o1
InChIInChI=1S/C10H8N2O5S/c13-10(14)8-1-2-9(17-8)18(15,16)12-7-3-5-11-6-4-7/h1-6H,(H,11,12)(H,13,14)
InChIKeyLFJONXAJMPOBGM-UHFFFAOYSA-N
XLogP1.17
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(pyridin-2-ylsulfamoyl)furan-2-carboxylic acid
CID 1322341
5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 66254351
5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 62811091
5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 104775672
5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 29077465
5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 43149865
5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid
CID 115376501
5-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 29077659
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid
CID 114837506
2-chloro-4-(pyridin-4-ylsulfamoyl)benzoic acid
CID 107089863
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid (CID 29077337) is 5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccncc2)o1.
What is the InChIKey of 5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is LFJONXAJMPOBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O5S/c13-10(14)8-1-2-9(17-8)18(15,16)12-7-3-5-11-6-4-7/h1-6H,(H,11,12)(H,13,14).
What are the key properties of 5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid?
5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 268.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 29077337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).