4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide

C13H15FN2O3S — CID 47162107

IUPAC4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNC(=O)c1ccc(F)c(S(=O)(=O)NCC=C)c1
InChIInChI=1S/C13H15FN2O3S/c1-3-7-15-13(17)10-5-6-11(14)12(9-10)20(18,19)16-8-4-2/h3-6,9,16H,1-2,7-8H2,(H,15,17)
InChIKeyOXLOCTYXYVTVQL-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.21
Rot. Bonds7

About 4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide

4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 47162107) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID47162107
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNC(=O)c1ccc(F)c(S(=O)(=O)NCC=C)c1
InChIInChI=1S/C13H15FN2O3S/c1-3-7-15-13(17)10-5-6-11(14)12(9-10)20(18,19)16-8-4-2/h3-6,9,16H,1-2,7-8H2,(H,15,17)
InChIKeyOXLOCTYXYVTVQL-UHFFFAOYSA-N
XLogP1.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.21
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

2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 55581588
4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 126479526
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
CID 55992642
N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
CID 55596596
2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 134004887
4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9165964
4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide
CID 55796321
4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55596549
4-chloro-3-fluoro-N-prop-2-enylbenzamide
CID 103875478
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
4-fluoro-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 49422917
4-[(3,4-difluorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058545

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of 4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide (CID 47162107) is 4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for 4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for 4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide is C=CCNC(=O)c1ccc(F)c(S(=O)(=O)NCC=C)c1.
What is the InChIKey of 4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is OXLOCTYXYVTVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-3-7-15-13(17)10-5-6-11(14)12(9-10)20(18,19)16-8-4-2/h3-6,9,16H,1-2,7-8H2,(H,15,17).
What are the key properties of 4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide?
4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 298.34 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 47162107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).