1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide

C16H15F3N2O2S — CID 137319141

IUPAC1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NN=C(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)15(11-13-7-3-1-4-8-13)20-21-24(22,23)12-14-9-5-2-6-10-14/h1-10,21H,11-12H2
InChIKeyVDMCUEFCMJYFQQ-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.27
Rot. Bonds6

About 1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide

1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide (PubChem CID 137319141) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is 1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide
PubChem CID137319141
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC Name1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NN=C(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)15(11-13-7-3-1-4-8-13)20-21-24(22,23)12-14-9-5-2-6-10-14/h1-10,21H,11-12H2
InChIKeyVDMCUEFCMJYFQQ-UHFFFAOYSA-N
XLogP3.27
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide
CID 85329773
N-(methylideneamino)-1-phenylmethanesulfonamide
CID 141191936
(benzylsulfonylamino) 2,2,2-trifluoroacetate
CID 67419335
N-[[1-[3,5-bis(phenylmethoxy)phenyl]-2-(4-phenylmethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide
CID 141195832
N-(1-diethoxyphosphorylpropan-2-ylideneamino)-1-phenylmethanesulfonamide
CID 141066817
N-iodo-1-phenylmethanesulfonamide
CID 88874569
1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide
CID 110734278
1-benzyl-2-methyl-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]guanidine
CID 110953648
N-[1-(2,4-dihydroxyphenyl)butylideneamino]-1-phenylmethanesulfonamide
CID 4572549
N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
N-[(2-fluorophenyl)methyl]-1-phenylmethanesulfonamide
CID 7034179
N-(2-oxoethyl)-1-phenylmethanesulfonamide
CID 89052958

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide (CID 137319141) is 1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide is O=S(=O)(Cc1ccccc1)NN=C(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of 1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide?
The InChIKey is VDMCUEFCMJYFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c17-16(18,19)15(11-13-7-3-1-4-8-13)20-21-24(22,23)12-14-9-5-2-6-10-14/h1-10,21H,11-12H2.
What are the key properties of 1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide?
1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide has a molecular weight of 356.37 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide is sourced from PubChem (CID 137319141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).