(NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide

C16H14F3NO2S — CID 71816820

IUPAC(NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide
SMILESC/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F3NO2S/c1-11-7-9-13(10-8-11)23(21,22)20-12(2)14-5-3-4-6-15(14)16(17,18)19/h3-10H,1-2H3/b20-12+
InChIKeyPJORUPKJGOICIY-UDWIEESQSA-N
MW341.35 g/mol
LogP4.21
Rot. Bonds3

About (NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide

(NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide (PubChem CID 71816820) has the molecular formula C16H14F3NO2S and a molecular weight of 341.35 g/mol. Its IUPAC name is (NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide
PubChem CID71816820
Molecular FormulaC16H14F3NO2S
Molecular Weight341.35 g/mol
Exact Mass341.07
IUPAC Name(NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide
SMILESC/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F3NO2S/c1-11-7-9-13(10-8-11)23(21,22)20-12(2)14-5-3-4-6-15(14)16(17,18)19/h3-10H,1-2H3/b20-12+
InChIKeyPJORUPKJGOICIY-UDWIEESQSA-N
XLogP4.21
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide
CID 155906264
4-methyl-N-[methyl-oxo-[[2-(trifluoromethyl)phenyl]methyl]-λ6-sulfanylidene]benzenesulfonamide
CID 162396758
(NE)-4-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 134997728
2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride
CID 71380234
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide
CID 20933690
2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide
CID 4030330
2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide
CID 73166022
4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 5414860
4-methylbenzenesulfonic acid;phthalic acid
CID 87829306
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 159696978

Frequently Asked Questions

What is the IUPAC name of (NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide (CID 71816820) is (NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide is C/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of (NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide?
The InChIKey is PJORUPKJGOICIY-UDWIEESQSA-N. The full InChI is InChI=1S/C16H14F3NO2S/c1-11-7-9-13(10-8-11)23(21,22)20-12(2)14-5-3-4-6-15(14)16(17,18)19/h3-10H,1-2H3/b20-12+.
What are the key properties of (NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide?
(NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide has a molecular weight of 341.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide is sourced from PubChem (CID 71816820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).