4-(benzylsulfamoyl)-N-prop-2-enylbenzamide

C17H18N2O3S — CID 109058425

IUPAC4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3S/c1-2-12-18-17(20)15-8-10-16(11-9-15)23(21,22)19-13-14-6-4-3-5-7-14/h2-11,19H,1,12-13H2,(H,18,20)
InChIKeyDSZJHDXPYNOHAZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.08
Rot. Bonds7

About 4-(benzylsulfamoyl)-N-prop-2-enylbenzamide

4-(benzylsulfamoyl)-N-prop-2-enylbenzamide (PubChem CID 109058425) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-(benzylsulfamoyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
PubChem CID109058425
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3S/c1-2-12-18-17(20)15-8-10-16(11-9-15)23(21,22)19-13-14-6-4-3-5-7-14/h2-11,19H,1,12-13H2,(H,18,20)
InChIKeyDSZJHDXPYNOHAZ-UHFFFAOYSA-N
XLogP2.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109058441
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide
CID 35154379
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
CID 46385849
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
CID 20973707
4-(benzylsulfamoyl)benzoate
CID 4743721
4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 45029526
4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058420
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058444
4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide
CID 44665683

Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfamoyl)-N-prop-2-enylbenzamide?
The IUPAC name of 4-(benzylsulfamoyl)-N-prop-2-enylbenzamide (CID 109058425) is 4-(benzylsulfamoyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-(benzylsulfamoyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-(benzylsulfamoyl)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of 4-(benzylsulfamoyl)-N-prop-2-enylbenzamide?
The InChIKey is DSZJHDXPYNOHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-2-12-18-17(20)15-8-10-16(11-9-15)23(21,22)19-13-14-6-4-3-5-7-14/h2-11,19H,1,12-13H2,(H,18,20).
What are the key properties of 4-(benzylsulfamoyl)-N-prop-2-enylbenzamide?
4-(benzylsulfamoyl)-N-prop-2-enylbenzamide has a molecular weight of 330.41 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfamoyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 109058425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).