N-(4-formylphenyl)cyclopropanesulfonamide

C10H11NO3S — CID 106912926

IUPACN-(4-formylphenyl)cyclopropanesulfonamide
SMILESO=Cc1ccc(NS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C10H11NO3S/c12-7-8-1-3-9(4-2-8)11-15(13,14)10-5-6-10/h1-4,7,10-11H,5-6H2
InChIKeyPAEYJDDJHUBESD-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.40
Rot. Bonds4

About N-(4-formylphenyl)cyclopropanesulfonamide

N-(4-formylphenyl)cyclopropanesulfonamide (PubChem CID 106912926) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(4-formylphenyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(4-formylphenyl)cyclopropanesulfonamide
PubChem CID106912926
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC NameN-(4-formylphenyl)cyclopropanesulfonamide
SMILESO=Cc1ccc(NS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C10H11NO3S/c12-7-8-1-3-9(4-2-8)11-15(13,14)10-5-6-10/h1-4,7,10-11H,5-6H2
InChIKeyPAEYJDDJHUBESD-UHFFFAOYSA-N
XLogP1.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-formylphenyl)cyclopropanesulfonamide?
The IUPAC name of N-(4-formylphenyl)cyclopropanesulfonamide (CID 106912926) is N-(4-formylphenyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(4-formylphenyl)cyclopropanesulfonamide?
The canonical SMILES for N-(4-formylphenyl)cyclopropanesulfonamide is O=Cc1ccc(NS(=O)(=O)C2CC2)cc1.
What is the InChIKey of N-(4-formylphenyl)cyclopropanesulfonamide?
The InChIKey is PAEYJDDJHUBESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-7-8-1-3-9(4-2-8)11-15(13,14)10-5-6-10/h1-4,7,10-11H,5-6H2.
What are the key properties of N-(4-formylphenyl)cyclopropanesulfonamide?
N-(4-formylphenyl)cyclopropanesulfonamide has a molecular weight of 225.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)cyclopropanesulfonamide is sourced from PubChem (CID 106912926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).