3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

C19H19F3N2O4S — CID 55712157

IUPAC3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)c1
InChIInChI=1S/C19H19F3N2O4S/c1-2-9-24-29(26,27)17-8-4-6-15(11-17)18(25)23-12-14-5-3-7-16(10-14)28-13-19(20,21)22/h2-8,10-11,24H,1,9,12-13H2,(H,23,25)
InChIKeyRMJYLFXDJHPWEG-UHFFFAOYSA-N
MW428.43 g/mol
LogP3.02
Rot. Bonds9

About 3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (PubChem CID 55712157) has the molecular formula C19H19F3N2O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is 3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
PubChem CID55712157
Molecular FormulaC19H19F3N2O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC Name3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)c1
InChIInChI=1S/C19H19F3N2O4S/c1-2-9-24-29(26,27)17-8-4-6-15(11-17)18(25)23-12-14-5-3-7-16(10-14)28-13-19(20,21)22/h2-8,10-11,24H,1,9,12-13H2,(H,23,25)
InChIKeyRMJYLFXDJHPWEG-UHFFFAOYSA-N
XLogP3.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.02
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

3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55714526
3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55712150
N-[[3-(butanoylamino)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55844311
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55747377
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
3-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methylsulfamoyl]-N-prop-2-enylbenzamide
CID 86880808
3-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 86949018
3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39576293
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
4-methylsulfanyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 78875500
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
2-chloro-5-methylsulfonyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 78889136

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (CID 55712157) is 3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)c1.
What is the InChIKey of 3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The InChIKey is RMJYLFXDJHPWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4S/c1-2-9-24-29(26,27)17-8-4-6-15(11-17)18(25)23-12-14-5-3-7-16(10-14)28-13-19(20,21)22/h2-8,10-11,24H,1,9,12-13H2,(H,23,25).
What are the key properties of 3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide has a molecular weight of 428.43 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55712157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).