N-(4-methylphenyl)sulfonylprop-2-enamide

C10H11NO3S — CID 11746302

IUPACN-(4-methylphenyl)sulfonylprop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H11NO3S/c1-3-10(12)11-15(13,14)9-6-4-8(2)5-7-9/h3-7H,1H2,2H3,(H,11,12)
InChIKeyMXDDRENDTSVWLG-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.99
Rot. Bonds3

About N-(4-methylphenyl)sulfonylprop-2-enamide

N-(4-methylphenyl)sulfonylprop-2-enamide (PubChem CID 11746302) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonylprop-2-enamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonylprop-2-enamide
PubChem CID11746302
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC NameN-(4-methylphenyl)sulfonylprop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H11NO3S/c1-3-10(12)11-15(13,14)9-6-4-8(2)5-7-9/h3-7H,1H2,2H3,(H,11,12)
InChIKeyMXDDRENDTSVWLG-UHFFFAOYSA-N
XLogP0.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.99
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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Related Compounds

p-Toluenesulfonyl isocyanate
CID 77703
N-Methyl-p-toluenesulfonamide
CID 12543
N-Ethyl-p-toluenesulfonamide
CID 6637
Toluenesulfonamide formaldehyde resin
CID 159985
2-((4-Methylphenyl)sulfonyl)acetamide
CID 104164
Xrtskrbkmfjbjv-uhfffaoysa-
CID 13373975
N-(4-methylphenyl)sulfonylcyclohexanecarboxamide
CID 4879102
N-Propyl-p-toluenesulfonamide
CID 70808
4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide
CID 297877
1-tosyl-1H-pyrrol-2(5H)-one
CID 13427336
N-Acetylbenzenesulfonamide
CID 138554
Tosylurea
CID 74327

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonylprop-2-enamide?
The IUPAC name of N-(4-methylphenyl)sulfonylprop-2-enamide (CID 11746302) is N-(4-methylphenyl)sulfonylprop-2-enamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonylprop-2-enamide?
The canonical SMILES for N-(4-methylphenyl)sulfonylprop-2-enamide is C=CC(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonylprop-2-enamide?
The InChIKey is MXDDRENDTSVWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-3-10(12)11-15(13,14)9-6-4-8(2)5-7-9/h3-7H,1H2,2H3,(H,11,12).
What are the key properties of N-(4-methylphenyl)sulfonylprop-2-enamide?
N-(4-methylphenyl)sulfonylprop-2-enamide has a molecular weight of 225.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonylprop-2-enamide is sourced from PubChem (CID 11746302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).