3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C19H17F3N2O3S — CID 43062333

IUPAC3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H17F3N2O3S/c1-3-11-23-28(26,27)17-6-4-5-15(12-17)18(25)24-13(2)14-7-9-16(10-8-14)19(20,21)22/h1,4-10,12-13,23H,11H2,2H3,(H,24,25)
InChIKeyXVGATRRFEQPXBX-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.11
Rot. Bonds6

About 3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide

3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 43062333) has the molecular formula C19H17F3N2O3S and a molecular weight of 410.42 g/mol. Its IUPAC name is 3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID43062333
Molecular FormulaC19H17F3N2O3S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC Name3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H17F3N2O3S/c1-3-11-23-28(26,27)17-6-4-5-15(12-17)18(25)24-13(2)14-7-9-16(10-8-14)19(20,21)22/h1,4-10,12-13,23H,11H2,2H3,(H,24,25)
InChIKeyXVGATRRFEQPXBX-UHFFFAOYSA-N
XLogP3.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46449027
N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297156
3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46449405
N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 133231293
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55621154
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 25480917
3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119044888
3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 37354866
N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27018001
N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 32628850
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 43062333) is 3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is XVGATRRFEQPXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3S/c1-3-11-23-28(26,27)17-6-4-5-15(12-17)18(25)24-13(2)14-7-9-16(10-8-14)19(20,21)22/h1,4-10,12-13,23H,11H2,2H3,(H,24,25).
What are the key properties of 3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 410.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 43062333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).