4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide

C17H14F4N2O3S — CID 126479526

IUPAC4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1F
InChIInChI=1S/C17H14F4N2O3S/c1-2-9-22-27(25,26)15-10-11(7-8-13(15)18)16(24)23-14-6-4-3-5-12(14)17(19,20)21/h2-8,10,22H,1,9H2,(H,23,24)
InChIKeyRCOFPHACYKOSGN-UHFFFAOYSA-N
MW402.37 g/mol
LogP3.56
Rot. Bonds6

About 4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide

4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 126479526) has the molecular formula C17H14F4N2O3S and a molecular weight of 402.37 g/mol. Its IUPAC name is 4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID126479526
Molecular FormulaC17H14F4N2O3S
Molecular Weight402.37 g/mol
Exact Mass402.07
IUPAC Name4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1F
InChIInChI=1S/C17H14F4N2O3S/c1-2-9-22-27(25,26)15-10-11(7-8-13(15)18)16(24)23-14-6-4-3-5-12(14)17(19,20)21/h2-8,10,22H,1,9H2,(H,23,24)
InChIKeyRCOFPHACYKOSGN-UHFFFAOYSA-N
XLogP3.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 53.56
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

4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47162107
2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 55581588
3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 45373661
N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
CID 55596596
5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109224282
4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55596549
4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9165964
N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 109062473
1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
CID 52591377
4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62679068
N-(2-chlorophenyl)-3-[(2-chlorophenyl)methylsulfamoyl]-4-fluorobenzamide
CID 3689795
3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109062412

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide (CID 126479526) is 4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide is C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1F.
What is the InChIKey of 4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RCOFPHACYKOSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O3S/c1-2-9-22-27(25,26)15-10-11(7-8-13(15)18)16(24)23-14-6-4-3-5-12(14)17(19,20)21/h2-8,10,22H,1,9H2,(H,23,24).
What are the key properties of 4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide?
4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 402.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 126479526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).