(E)-N-(4-methylphenyl)sulfonylbut-2-enamide

C11H13NO3S — CID 69342969

IUPAC(E)-N-(4-methylphenyl)sulfonylbut-2-enamide
SMILESC/C=C/C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H13NO3S/c1-3-4-11(13)12-16(14,15)10-7-5-9(2)6-8-10/h3-8H,1-2H3,(H,12,13)/b4-3+
InChIKeyPQJWCLQXLOORCI-ONEGZZNKSA-N
MW239.30 g/mol
LogP1.38
Rot. Bonds3

About (E)-N-(4-methylphenyl)sulfonylbut-2-enamide

(E)-N-(4-methylphenyl)sulfonylbut-2-enamide (PubChem CID 69342969) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is (E)-N-(4-methylphenyl)sulfonylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methylphenyl)sulfonylbut-2-enamide
PubChem CID69342969
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name(E)-N-(4-methylphenyl)sulfonylbut-2-enamide
SMILESC/C=C/C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H13NO3S/c1-3-4-11(13)12-16(14,15)10-7-5-9(2)6-8-10/h3-8H,1-2H3,(H,12,13)/b4-3+
InChIKeyPQJWCLQXLOORCI-ONEGZZNKSA-N
XLogP1.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylphenyl)sulfonylbut-2-enamide?
The IUPAC name of (E)-N-(4-methylphenyl)sulfonylbut-2-enamide (CID 69342969) is (E)-N-(4-methylphenyl)sulfonylbut-2-enamide.
What is the SMILES notation for (E)-N-(4-methylphenyl)sulfonylbut-2-enamide?
The canonical SMILES for (E)-N-(4-methylphenyl)sulfonylbut-2-enamide is C/C=C/C(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (E)-N-(4-methylphenyl)sulfonylbut-2-enamide?
The InChIKey is PQJWCLQXLOORCI-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-3-4-11(13)12-16(14,15)10-7-5-9(2)6-8-10/h3-8H,1-2H3,(H,12,13)/b4-3+.
What are the key properties of (E)-N-(4-methylphenyl)sulfonylbut-2-enamide?
(E)-N-(4-methylphenyl)sulfonylbut-2-enamide has a molecular weight of 239.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylphenyl)sulfonylbut-2-enamide is sourced from PubChem (CID 69342969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).