5-[(4-sulfamoylphenyl)carbamoyl]furan-3-carboxylic acid

C12H10N2O6S — CID 104607032

IUPAC5-[(4-sulfamoylphenyl)carbamoyl]furan-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc(C(=O)O)co2)cc1
InChIInChI=1S/C12H10N2O6S/c13-21(18,19)9-3-1-8(2-4-9)14-11(15)10-5-7(6-20-10)12(16)17/h1-6H,(H,14,15)(H,16,17)(H2,13,18,19)
InChIKeyFKTORQKOODHBQZ-UHFFFAOYSA-N
MW310.29 g/mol
LogP0.88
Rot. Bonds4

About 5-[(4-sulfamoylphenyl)carbamoyl]furan-3-carboxylic acid

5-[(4-sulfamoylphenyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 104607032) has the molecular formula C12H10N2O6S and a molecular weight of 310.29 g/mol. Its IUPAC name is 5-[(4-sulfamoylphenyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-sulfamoylphenyl)carbamoyl]furan-3-carboxylic acid
PubChem CID104607032
Molecular FormulaC12H10N2O6S
Molecular Weight310.29 g/mol
Exact Mass310.03
IUPAC Name5-[(4-sulfamoylphenyl)carbamoyl]furan-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc(C(=O)O)co2)cc1
InChIInChI=1S/C12H10N2O6S/c13-21(18,19)9-3-1-8(2-4-9)14-11(15)10-5-7(6-20-10)12(16)17/h1-6H,(H,14,15)(H,16,17)(H2,13,18,19)
InChIKeyFKTORQKOODHBQZ-UHFFFAOYSA-N
XLogP0.88
TPSA139.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-sulfamoylphenyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(4-sulfamoylphenyl)carbamoyl]furan-3-carboxylic acid (CID 104607032) is 5-[(4-sulfamoylphenyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(4-sulfamoylphenyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(4-sulfamoylphenyl)carbamoyl]furan-3-carboxylic acid is NS(=O)(=O)c1ccc(NC(=O)c2cc(C(=O)O)co2)cc1.
What is the InChIKey of 5-[(4-sulfamoylphenyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is FKTORQKOODHBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O6S/c13-21(18,19)9-3-1-8(2-4-9)14-11(15)10-5-7(6-20-10)12(16)17/h1-6H,(H,14,15)(H,16,17)(H2,13,18,19).
What are the key properties of 5-[(4-sulfamoylphenyl)carbamoyl]furan-3-carboxylic acid?
5-[(4-sulfamoylphenyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 310.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-sulfamoylphenyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).