4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide

C18H17F3N2O3S2 — CID 55554211

IUPAC4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3S2/c1-2-11-22-28(25,26)14-9-7-13(8-10-14)17(24)23-15-5-3-4-6-16(15)27-12-18(19,20)21/h2-10,22H,1,11-12H2,(H,23,24)
InChIKeyJASQCSSSVBWJBJ-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.06
Rot. Bonds8

About 4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide

4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide (PubChem CID 55554211) has the molecular formula C18H17F3N2O3S2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
PubChem CID55554211
Molecular FormulaC18H17F3N2O3S2
Molecular Weight430.47 g/mol
Exact Mass430.06
IUPAC Name4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3S2/c1-2-11-22-28(25,26)14-9-7-13(8-10-14)17(24)23-15-5-3-4-6-16(15)27-12-18(19,20)21/h2-10,22H,1,11-12H2,(H,23,24)
InChIKeyJASQCSSSVBWJBJ-UHFFFAOYSA-N
XLogP4.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258058
4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16623224
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16609512
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 26796676
4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38783251
N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 109058553
2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 43043214
3-methyl-4-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16962409
4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 126479526
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 46554834

Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The IUPAC name of 4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide (CID 55554211) is 4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)cc1.
What is the InChIKey of 4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The InChIKey is JASQCSSSVBWJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3S2/c1-2-11-22-28(25,26)14-9-7-13(8-10-14)17(24)23-15-5-3-4-6-16(15)27-12-18(19,20)21/h2-10,22H,1,11-12H2,(H,23,24).
What are the key properties of 4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide has a molecular weight of 430.47 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 55554211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).