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

C17H12FNO4S — CID 91679893

IUPACN-(4-fluorophenyl)-4-(5-formylfuran-2-yl)benzenesulfonamide
SMILESO=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)o1
InChIInChI=1S/C17H12FNO4S/c18-13-3-5-14(6-4-13)19-24(21,22)16-8-1-12(2-9-16)17-10-7-15(11-20)23-17/h1-11,19H
InChIKeyYVEAYIXMWXMKKG-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.70
Rot. Bonds5

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

N-(4-fluorophenyl)-4-(5-formylfuran-2-yl)benzenesulfonamide (PubChem CID 91679893) has the molecular formula C17H12FNO4S and a molecular weight of 345.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(5-formylfuran-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(5-formylfuran-2-yl)benzenesulfonamide
PubChem CID91679893
Molecular FormulaC17H12FNO4S
Molecular Weight345.35 g/mol
Exact Mass345.05
IUPAC NameN-(4-fluorophenyl)-4-(5-formylfuran-2-yl)benzenesulfonamide
SMILESO=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)o1
InChIInChI=1S/C17H12FNO4S/c18-13-3-5-14(6-4-13)19-24(21,22)16-8-1-12(2-9-16)17-10-7-15(11-20)23-17/h1-11,19H
InChIKeyYVEAYIXMWXMKKG-UHFFFAOYSA-N
XLogP3.70
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
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 N-(4-fluorophenyl)-4-(5-formylfuran-2-yl)benzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-4-(5-formylfuran-2-yl)benzenesulfonamide (CID 91679893) is N-(4-fluorophenyl)-4-(5-formylfuran-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(5-formylfuran-2-yl)benzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(5-formylfuran-2-yl)benzenesulfonamide is O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)o1.
What is the InChIKey of N-(4-fluorophenyl)-4-(5-formylfuran-2-yl)benzenesulfonamide?
The InChIKey is YVEAYIXMWXMKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO4S/c18-13-3-5-14(6-4-13)19-24(21,22)16-8-1-12(2-9-16)17-10-7-15(11-20)23-17/h1-11,19H.
What are the key properties of N-(4-fluorophenyl)-4-(5-formylfuran-2-yl)benzenesulfonamide?
N-(4-fluorophenyl)-4-(5-formylfuran-2-yl)benzenesulfonamide has a molecular weight of 345.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(5-formylfuran-2-yl)benzenesulfonamide is sourced from PubChem (CID 91679893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).