N-benzyl-1,1,1-trifluoro-N-propa-1,2-dienylmethanesulfonamide

C11H10F3NO2S — CID 125499146

IUPACN-benzyl-1,1,1-trifluoro-N-propa-1,2-dienylmethanesulfonamide
SMILESC=C=CN(Cc1ccccc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H10F3NO2S/c1-2-8-15(18(16,17)11(12,13)14)9-10-6-4-3-5-7-10/h3-8H,1,9H2
InChIKeyPULCDYWDAOQXHI-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.64
Rot. Bonds4

About N-benzyl-1,1,1-trifluoro-N-propa-1,2-dienylmethanesulfonamide

N-benzyl-1,1,1-trifluoro-N-propa-1,2-dienylmethanesulfonamide (PubChem CID 125499146) has the molecular formula C11H10F3NO2S and a molecular weight of 277.27 g/mol. Its IUPAC name is N-benzyl-1,1,1-trifluoro-N-propa-1,2-dienylmethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-1,1,1-trifluoro-N-propa-1,2-dienylmethanesulfonamide
PubChem CID125499146
Molecular FormulaC11H10F3NO2S
Molecular Weight277.27 g/mol
Exact Mass277.04
IUPAC NameN-benzyl-1,1,1-trifluoro-N-propa-1,2-dienylmethanesulfonamide
SMILESC=C=CN(Cc1ccccc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H10F3NO2S/c1-2-8-15(18(16,17)11(12,13)14)9-10-6-4-3-5-7-10/h3-8H,1,9H2
InChIKeyPULCDYWDAOQXHI-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-1,1,1-trifluoro-N-propa-1,2-dienylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(phenylmethyl)-
CID 109962
1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(phenylmethyl)-
CID 170860
1-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(phenylmethyl)-
CID 109963
1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(phenylmethyl)-
CID 109964
1-Heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(phenylmethyl)-
CID 109965
N-benzyl-1,1,1-trifluoromethanesulphonamide
CID 118985
N-benzyl-N-prop-2-ynylethenesulfonamide
CID 42628496
N-[(3-fluorophenyl)methyl]-N-methylaminosulfonamide
CID 43132044
N-benzyl-N-methylsulfamoyl chloride
CID 12246982
N-Methyl-N-(phenylmethyl)sulfamide
CID 19889027
Benzyl(ethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide
CID 87176851
2-benzyl-4-methylidene-3H-thiazine 1,1-dioxide
CID 16060429

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1,1-trifluoro-N-propa-1,2-dienylmethanesulfonamide?
The IUPAC name of N-benzyl-1,1,1-trifluoro-N-propa-1,2-dienylmethanesulfonamide (CID 125499146) is N-benzyl-1,1,1-trifluoro-N-propa-1,2-dienylmethanesulfonamide.
What is the SMILES notation for N-benzyl-1,1,1-trifluoro-N-propa-1,2-dienylmethanesulfonamide?
The canonical SMILES for N-benzyl-1,1,1-trifluoro-N-propa-1,2-dienylmethanesulfonamide is C=C=CN(Cc1ccccc1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-benzyl-1,1,1-trifluoro-N-propa-1,2-dienylmethanesulfonamide?
The InChIKey is PULCDYWDAOQXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2S/c1-2-8-15(18(16,17)11(12,13)14)9-10-6-4-3-5-7-10/h3-8H,1,9H2.
What are the key properties of N-benzyl-1,1,1-trifluoro-N-propa-1,2-dienylmethanesulfonamide?
N-benzyl-1,1,1-trifluoro-N-propa-1,2-dienylmethanesulfonamide has a molecular weight of 277.27 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,1,1-trifluoro-N-propa-1,2-dienylmethanesulfonamide is sourced from PubChem (CID 125499146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).