5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide

C14H15NO4S — CID 169335264

IUPAC5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide
SMILESCc1ccc(-c2ccc(C=O)o2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H15NO4S/c1-10-4-5-11(13-7-6-12(9-16)19-13)8-14(10)20(17,18)15(2)3/h4-9H,1-3H3
InChIKeyVHIBAZLOATUKQR-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.32
Rot. Bonds4

About 5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide

5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide (PubChem CID 169335264) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide
PubChem CID169335264
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide
SMILESCc1ccc(-c2ccc(C=O)o2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H15NO4S/c1-10-4-5-11(13-7-6-12(9-16)19-13)8-14(10)20(17,18)15(2)3/h4-9H,1-3H3
InChIKeyVHIBAZLOATUKQR-UHFFFAOYSA-N
XLogP2.32
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide?
The IUPAC name of 5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide (CID 169335264) is 5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide.
What is the SMILES notation for 5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide?
The canonical SMILES for 5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide is Cc1ccc(-c2ccc(C=O)o2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide?
The InChIKey is VHIBAZLOATUKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-10-4-5-11(13-7-6-12(9-16)19-13)8-14(10)20(17,18)15(2)3/h4-9H,1-3H3.
What are the key properties of 5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide?
5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide has a molecular weight of 293.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide is sourced from PubChem (CID 169335264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).