4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide

C19H17NO4S — CID 169334164

IUPAC4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(-c2ccc(C=O)o2)cc1)c1ccccc1
InChIInChI=1S/C19H17NO4S/c1-14(15-5-3-2-4-6-15)20-25(22,23)18-10-7-16(8-11-18)19-12-9-17(13-21)24-19/h2-14,20H,1H3
InChIKeyPNRWWULDLHIGTI-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.80
Rot. Bonds6

About 4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide

4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 169334164) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide
PubChem CID169334164
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(-c2ccc(C=O)o2)cc1)c1ccccc1
InChIInChI=1S/C19H17NO4S/c1-14(15-5-3-2-4-6-15)20-25(22,23)18-10-7-16(8-11-18)19-12-9-17(13-21)24-19/h2-14,20H,1H3
InChIKeyPNRWWULDLHIGTI-UHFFFAOYSA-N
XLogP3.80
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
CID 3814235
4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
CID 171777388
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 171387685
4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide
CID 169334601
4-nitro-N-(1-phenylethyl)benzenesulfonamide
CID 625966
4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide
CID 19680813
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 27299317
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422

Frequently Asked Questions

What is the IUPAC name of 4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide (CID 169334164) is 4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(-c2ccc(C=O)o2)cc1)c1ccccc1.
What is the InChIKey of 4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is PNRWWULDLHIGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-14(15-5-3-2-4-6-15)20-25(22,23)18-10-7-16(8-11-18)19-12-9-17(13-21)24-19/h2-14,20H,1H3.
What are the key properties of 4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide?
4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 169334164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).