2-(benzenesulfonyl)prop-2-enamide

C9H9NO3S — CID 22023962

IUPAC2-(benzenesulfonyl)prop-2-enamide
SMILESC=C(C(N)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H9NO3S/c1-7(9(10)11)14(12,13)8-5-3-2-4-6-8/h2-6H,1H2,(H2,10,11)
InChIKeySSHFONBBJQXEGJ-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.46
Rot. Bonds3

About 2-(benzenesulfonyl)prop-2-enamide

2-(benzenesulfonyl)prop-2-enamide (PubChem CID 22023962) has the molecular formula C9H9NO3S and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(benzenesulfonyl)prop-2-enamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)prop-2-enamide
PubChem CID22023962
Molecular FormulaC9H9NO3S
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name2-(benzenesulfonyl)prop-2-enamide
SMILESC=C(C(N)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H9NO3S/c1-7(9(10)11)14(12,13)8-5-3-2-4-6-8/h2-6H,1H2,(H2,10,11)
InChIKeySSHFONBBJQXEGJ-UHFFFAOYSA-N
XLogP0.46
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(benzenesulfonyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)prop-2-enamide?
The IUPAC name of 2-(benzenesulfonyl)prop-2-enamide (CID 22023962) is 2-(benzenesulfonyl)prop-2-enamide.
What is the SMILES notation for 2-(benzenesulfonyl)prop-2-enamide?
The canonical SMILES for 2-(benzenesulfonyl)prop-2-enamide is C=C(C(N)=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)prop-2-enamide?
The InChIKey is SSHFONBBJQXEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3S/c1-7(9(10)11)14(12,13)8-5-3-2-4-6-8/h2-6H,1H2,(H2,10,11).
What are the key properties of 2-(benzenesulfonyl)prop-2-enamide?
2-(benzenesulfonyl)prop-2-enamide has a molecular weight of 211.24 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)prop-2-enamide is sourced from PubChem (CID 22023962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).