N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide

C19H18F3N3O4S — CID 55879588

IUPACN-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
SMILESC=CCNC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C19H18F3N3O4S/c1-2-10-23-18(27)15-8-3-4-9-16(15)25-30(28,29)14-7-5-6-13(11-14)17(26)24-12-19(20,21)22/h2-9,11,25H,1,10,12H2,(H,23,27)(H,24,26)
InChIKeyZRPDKPQDDCJLBD-UHFFFAOYSA-N
MW441.43 g/mol
LogP2.70
Rot. Bonds8

About N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide

N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide (PubChem CID 55879588) has the molecular formula C19H18F3N3O4S and a molecular weight of 441.43 g/mol. Its IUPAC name is N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
PubChem CID55879588
Molecular FormulaC19H18F3N3O4S
Molecular Weight441.43 g/mol
Exact Mass441.10
IUPAC NameN-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
SMILESC=CCNC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C19H18F3N3O4S/c1-2-10-23-18(27)15-8-3-4-9-16(15)25-30(28,29)14-7-5-6-13(11-14)17(26)24-12-19(20,21)22/h2-9,11,25H,1,10,12H2,(H,23,27)(H,24,26)
InChIKeyZRPDKPQDDCJLBD-UHFFFAOYSA-N
XLogP2.70
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 109062473
3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60532880
2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 34743144
3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062466
2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide
CID 41448837
3-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 86949018
3-[(2-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55901843
3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062454
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 8843607
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 39827756
3-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 52700082
3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55896243

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide?
The IUPAC name of N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide (CID 55879588) is N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide is C=CCNC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide?
The InChIKey is ZRPDKPQDDCJLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4S/c1-2-10-23-18(27)15-8-3-4-9-16(15)25-30(28,29)14-7-5-6-13(11-14)17(26)24-12-19(20,21)22/h2-9,11,25H,1,10,12H2,(H,23,27)(H,24,26).
What are the key properties of N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide?
N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide has a molecular weight of 441.43 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 55879588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).