4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide

C18H19FN2O3S — CID 109058444

IUPAC4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O3S/c1-2-12-20-18(22)15-5-9-17(10-6-15)25(23,24)21-13-11-14-3-7-16(19)8-4-14/h2-10,21H,1,11-13H2,(H,20,22)
InChIKeyCYIJBXLWAXXCDY-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.26
Rot. Bonds8

About 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide

4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide (PubChem CID 109058444) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide
PubChem CID109058444
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O3S/c1-2-12-20-18(22)15-5-9-17(10-6-15)25(23,24)21-13-11-14-3-7-16(19)8-4-14/h2-10,21H,1,11-13H2,(H,20,22)
InChIKeyCYIJBXLWAXXCDY-UHFFFAOYSA-N
XLogP2.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109061048
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide
CID 109058149
4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058420
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058425
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 26635661
N-[2-(4-butanoylphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 70422383
4-[(2,4-difluorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058529
N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109058441
N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 25317177

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide (CID 109058444) is 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide?
The InChIKey is CYIJBXLWAXXCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-2-12-20-18(22)15-5-9-17(10-6-15)25(23,24)21-13-11-14-3-7-16(19)8-4-14/h2-10,21H,1,11-13H2,(H,20,22).
What are the key properties of 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide?
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 109058444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).