4-methylsulfonyl-N-prop-2-enylbenzamide

C11H13NO3S — CID 9442193

IUPAC4-methylsulfonyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H13NO3S/c1-3-8-12-11(13)9-4-6-10(7-5-9)16(2,14)15/h3-7H,1,8H2,2H3,(H,12,13)
InChIKeyGWLVFDROVBMRMH-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.01
Rot. Bonds4

About 4-methylsulfonyl-N-prop-2-enylbenzamide

4-methylsulfonyl-N-prop-2-enylbenzamide (PubChem CID 9442193) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-methylsulfonyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-prop-2-enylbenzamide
PubChem CID9442193
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name4-methylsulfonyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H13NO3S/c1-3-8-12-11(13)9-4-6-10(7-5-9)16(2,14)15/h3-7H,1,8H2,2H3,(H,12,13)
InChIKeyGWLVFDROVBMRMH-UHFFFAOYSA-N
XLogP1.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylsulfonylmethyl)-N-prop-2-enylbenzamide
CID 9442194
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058420
4-(125I)iodo-N-prop-2-enyl(125I)benzamide
CID 118652264
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
4-methylsulfonylbenzohydrazide
CID 11042107
N-prop-2-enyl-4-(sulfamoylamino)benzamide
CID 112573721
4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058425
4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 28591458

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-prop-2-enylbenzamide?
The IUPAC name of 4-methylsulfonyl-N-prop-2-enylbenzamide (CID 9442193) is 4-methylsulfonyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-methylsulfonyl-N-prop-2-enylbenzamide?
The canonical SMILES for 4-methylsulfonyl-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-methylsulfonyl-N-prop-2-enylbenzamide?
The InChIKey is GWLVFDROVBMRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-3-8-12-11(13)9-4-6-10(7-5-9)16(2,14)15/h3-7H,1,8H2,2H3,(H,12,13).
What are the key properties of 4-methylsulfonyl-N-prop-2-enylbenzamide?
4-methylsulfonyl-N-prop-2-enylbenzamide has a molecular weight of 239.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 9442193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).