5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde

C15H15NO4S — CID 169332423

IUPAC5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C15H15NO4S/c17-11-12-7-8-14(20-12)13-5-1-2-6-15(13)21(18,19)16-9-3-4-10-16/h1-2,5-8,11H,3-4,9-10H2
InChIKeySTRWJTGLGHNBHM-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.54
Rot. Bonds4

About 5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde

5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde (PubChem CID 169332423) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde
PubChem CID169332423
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C15H15NO4S/c17-11-12-7-8-14(20-12)13-5-1-2-6-15(13)21(18,19)16-9-3-4-10-16/h1-2,5-8,11H,3-4,9-10H2
InChIKeySTRWJTGLGHNBHM-UHFFFAOYSA-N
XLogP2.54
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenylphenyl)sulfonylpyrrolidine
CID 51112991
5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169334647
5-(2-cyclobutylphenyl)furan-2-carbaldehyde
CID 106886627
5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde
CID 169334108
5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde
CID 169334507
1-(2-propan-2-ylphenyl)sulfonylpyrrolidine
CID 20754489
1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide
CID 169335732
1-(2-methylsulfonylphenyl)sulfonylazepane
CID 86922481
1-(benzenesulfonyl)-4-(2-phenylphenyl)sulfonyl-1,4-diazepane
CID 166194214
5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde
CID 169333844
4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole
CID 141186190
2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 169334975

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde (CID 169332423) is 5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)o1.
What is the InChIKey of 5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde?
The InChIKey is STRWJTGLGHNBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-11-12-7-8-14(20-12)13-5-1-2-6-15(13)21(18,19)16-9-3-4-10-16/h1-2,5-8,11H,3-4,9-10H2.
What are the key properties of 5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde?
5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde has a molecular weight of 305.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169332423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).