N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide

C17H15F3N2O3S — CID 109062473

IUPACN-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O3S/c1-2-10-21-16(23)12-6-5-7-13(11-12)26(24,25)22-15-9-4-3-8-14(15)17(18,19)20/h2-9,11,22H,1,10H2,(H,21,23)
InChIKeyNAMCMXDCHPEINR-UHFFFAOYSA-N
MW384.38 g/mol
LogP3.42
Rot. Bonds6

About N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide

N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 109062473) has the molecular formula C17H15F3N2O3S and a molecular weight of 384.38 g/mol. Its IUPAC name is N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID109062473
Molecular FormulaC17H15F3N2O3S
Molecular Weight384.38 g/mol
Exact Mass384.08
IUPAC NameN-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O3S/c1-2-10-21-16(23)12-6-5-7-13(11-12)26(24,25)22-15-9-4-3-8-14(15)17(18,19)20/h2-9,11,22H,1,10H2,(H,21,23)
InChIKeyNAMCMXDCHPEINR-UHFFFAOYSA-N
XLogP3.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.42
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

N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
CID 55879588
3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062466
3-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 86949018
3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062454
3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 86879597
2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 34743144
3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60532880
1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
CID 52591377
4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 126479526
3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide
CID 94633826
2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide
CID 41448837
N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000430

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 109062473) is N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide is C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is NAMCMXDCHPEINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3S/c1-2-10-21-16(23)12-6-5-7-13(11-12)26(24,25)22-15-9-4-3-8-14(15)17(18,19)20/h2-9,11,22H,1,10H2,(H,21,23).
What are the key properties of N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 384.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 109062473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).