3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide

C16H13F3N2O3S — CID 109062412

IUPAC3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C16H13F3N2O3S/c1-2-8-20-25(23,24)11-5-3-4-10(9-11)16(22)21-13-7-6-12(17)14(18)15(13)19/h2-7,9,20H,1,8H2,(H,21,22)
InChIKeyIRSDPGLHMNMSCP-UHFFFAOYSA-N
MW370.35 g/mol
LogP2.82
Rot. Bonds6

About 3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide

3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 109062412) has the molecular formula C16H13F3N2O3S and a molecular weight of 370.35 g/mol. Its IUPAC name is 3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID109062412
Molecular FormulaC16H13F3N2O3S
Molecular Weight370.35 g/mol
Exact Mass370.06
IUPAC Name3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C16H13F3N2O3S/c1-2-8-20-25(23,24)11-5-3-4-10(9-11)16(22)21-13-7-6-12(17)14(18)15(13)19/h2-7,9,20H,1,8H2,(H,21,22)
InChIKeyIRSDPGLHMNMSCP-UHFFFAOYSA-N
XLogP2.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 31263349
N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9071953
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30497083
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 18197948
N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26695042
N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442034
N-[4-(4-chloroanilino)-4-oxobutyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55862592
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 71850107
3-(prop-2-enylsulfamoyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 52799360

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide (CID 109062412) is 3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is IRSDPGLHMNMSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3S/c1-2-8-20-25(23,24)11-5-3-4-10(9-11)16(22)21-13-7-6-12(17)14(18)15(13)19/h2-7,9,20H,1,8H2,(H,21,22).
What are the key properties of 3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide?
3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 370.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 109062412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).