1,1,1-trifluoro-N-methyl-N-[(E)-3-phenylprop-2-enyl]methanesulfonamide

C11H12F3NO2S — CID 134859388

IUPAC1,1,1-trifluoro-N-methyl-N-[(E)-3-phenylprop-2-enyl]methanesulfonamide
SMILESCN(C/C=C/c1ccccc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NO2S/c1-15(18(16,17)11(12,13)14)9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3/b8-5+
InChIKeyYPQBBIUNMRLSOX-VMPITWQZSA-N
MW279.28 g/mol
LogP2.48
Rot. Bonds4

About 1,1,1-trifluoro-N-methyl-N-[(E)-3-phenylprop-2-enyl]methanesulfonamide

1,1,1-trifluoro-N-methyl-N-[(E)-3-phenylprop-2-enyl]methanesulfonamide (PubChem CID 134859388) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-N-[(E)-3-phenylprop-2-enyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-N-[(E)-3-phenylprop-2-enyl]methanesulfonamide
PubChem CID134859388
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC Name1,1,1-trifluoro-N-methyl-N-[(E)-3-phenylprop-2-enyl]methanesulfonamide
SMILESCN(C/C=C/c1ccccc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NO2S/c1-15(18(16,17)11(12,13)14)9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3/b8-5+
InChIKeyYPQBBIUNMRLSOX-VMPITWQZSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(difluoromethyl)-N,4-dimethylbenzenesulfonamide
CID 710702
N-benzyl-1,1,1-trifluoromethanesulphonamide
CID 118985
N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088840
N,N-dimethyl-2-phenylethynesulfonamide
CID 296559
N,N-dimethyl-4-(trifluoromethyl)benzene-1-sulfonamide
CID 46769593
N-Phenethyltrifluoromethanesulfonamide
CID 11118575
ST042664
CID 669105
(Z)-N,N-dimethyl-2-phenyl-ethenesulfonamide
CID 12221060
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 53514527
N-(4-fluorobenzyl)-N-methylmethanesulfonamide
CID 60681387
N-benzyl-1,1,1-trifluoro-N-(3-iodopropyl)methanesulfonamide
CID 10319199
Dimethyl-[methylselanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate
CID 176426508

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-N-[(E)-3-phenylprop-2-enyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-methyl-N-[(E)-3-phenylprop-2-enyl]methanesulfonamide (CID 134859388) is 1,1,1-trifluoro-N-methyl-N-[(E)-3-phenylprop-2-enyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-N-[(E)-3-phenylprop-2-enyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-N-[(E)-3-phenylprop-2-enyl]methanesulfonamide is CN(C/C=C/c1ccccc1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-N-[(E)-3-phenylprop-2-enyl]methanesulfonamide?
The InChIKey is YPQBBIUNMRLSOX-VMPITWQZSA-N. The full InChI is InChI=1S/C11H12F3NO2S/c1-15(18(16,17)11(12,13)14)9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3/b8-5+.
What are the key properties of 1,1,1-trifluoro-N-methyl-N-[(E)-3-phenylprop-2-enyl]methanesulfonamide?
1,1,1-trifluoro-N-methyl-N-[(E)-3-phenylprop-2-enyl]methanesulfonamide has a molecular weight of 279.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-N-[(E)-3-phenylprop-2-enyl]methanesulfonamide is sourced from PubChem (CID 134859388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).