5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid

C14H15NO5S — CID 43707205

IUPAC5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCCc1ccccc1NS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H15NO5S/c1-2-5-10-6-3-4-7-11(10)15-21(18,19)13-9-8-12(20-13)14(16)17/h3-4,6-9,15H,2,5H2,1H3,(H,16,17)
InChIKeyVIUGXPQIWCVNAG-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.73
Rot. Bonds6

About 5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid

5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 43707205) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID43707205
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCCc1ccccc1NS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H15NO5S/c1-2-5-10-6-3-4-7-11(10)15-21(18,19)13-9-8-12(20-13)14(16)17/h3-4,6-9,15H,2,5H2,1H3,(H,16,17)
InChIKeyVIUGXPQIWCVNAG-UHFFFAOYSA-N
XLogP2.73
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 107624822
5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid
CID 43712643
5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 29077465
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
5-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 43149833
2-methyl-N-(2-propylphenyl)benzenesulfonamide
CID 63000036
5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 66254351
5-(pyridin-2-ylsulfamoyl)furan-2-carboxylic acid
CID 1322341
5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 106328341
4-[2-[2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688852
N-[[4-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide
CID 66576127

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid (CID 43707205) is 5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid is CCCc1ccccc1NS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is VIUGXPQIWCVNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c1-2-5-10-6-3-4-7-11(10)15-21(18,19)13-9-8-12(20-13)14(16)17/h3-4,6-9,15H,2,5H2,1H3,(H,16,17).
What are the key properties of 5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid?
5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43707205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).