N-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide

C15H17NO4S — CID 169332767

IUPACN-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C15H17NO4S/c1-2-3-10-16-21(18,19)14-7-4-12(5-8-14)15-9-6-13(11-17)20-15/h4-9,11,16H,2-3,10H2,1H3
InChIKeyUDLOEYAKNPGNIZ-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.84
Rot. Bonds7

About N-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide

N-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide (PubChem CID 169332767) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide
PubChem CID169332767
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C15H17NO4S/c1-2-3-10-16-21(18,19)14-7-4-12(5-8-14)15-9-6-13(11-17)20-15/h4-9,11,16H,2-3,10H2,1H3
InChIKeyUDLOEYAKNPGNIZ-UHFFFAOYSA-N
XLogP2.84
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide
CID 169334601
5-(4-pentoxyphenyl)furan-2-carbaldehyde
CID 169333298
4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide
CID 169334164
4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
CID 169336206
N-butyl-4-ethenylbenzenesulfonamide
CID 20722248
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
5-(4-propylsulfanylphenyl)furan-2-carbaldehyde
CID 169333150
N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258829
N-butyl-4-cyanobenzenesulfonamide
CID 3555489
4-(butylsulfamoyl)benzoyl chloride
CID 91736822
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide?
The IUPAC name of N-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide (CID 169332767) is N-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide.
What is the SMILES notation for N-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide?
The canonical SMILES for N-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide is CCCCNS(=O)(=O)c1ccc(-c2ccc(C=O)o2)cc1.
What is the InChIKey of N-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide?
The InChIKey is UDLOEYAKNPGNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-2-3-10-16-21(18,19)14-7-4-12(5-8-14)15-9-6-13(11-17)20-15/h4-9,11,16H,2-3,10H2,1H3.
What are the key properties of N-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide?
N-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide is sourced from PubChem (CID 169332767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).