5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid

C12H19NO6S — CID 106003753

IUPAC5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid
SMILESCC(C)OCCCCNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H19NO6S/c1-9(2)18-8-4-3-7-13-20(16,17)11-6-5-10(19-11)12(14)15/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyBSMQYZVRESRTBC-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.46
Rot. Bonds9

About 5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid

5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid (PubChem CID 106003753) has the molecular formula C12H19NO6S and a molecular weight of 305.35 g/mol. Its IUPAC name is 5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid
PubChem CID106003753
Molecular FormulaC12H19NO6S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid
SMILESCC(C)OCCCCNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H19NO6S/c1-9(2)18-8-4-3-7-13-20(16,17)11-6-5-10(19-11)12(14)15/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyBSMQYZVRESRTBC-UHFFFAOYSA-N
XLogP1.46
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid
CID 29077453
5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid
CID 113493885
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid
CID 106003735
5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 106335110
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid
CID 104932979
4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106011750
5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid
CID 60926737
5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 60924480
4-(aminomethyl)-2-chloro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106016293
4-(2-propan-2-yloxyethylsulfamoyl)benzoic acid
CID 113449953

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid (CID 106003753) is 5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid is CC(C)OCCCCNS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is BSMQYZVRESRTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6S/c1-9(2)18-8-4-3-7-13-20(16,17)11-6-5-10(19-11)12(14)15/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,14,15).
What are the key properties of 5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid?
5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 305.35 g/mol, XLogP of 1.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 106003753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).