(NE)-4-methyl-N-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide

C21H16F3NO2S — CID 134997730

IUPAC(NE)-4-methyl-N-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(\c2ccccc2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C21H16F3NO2S/c1-15-10-12-19(13-11-15)28(26,27)25-20(16-6-3-2-4-7-16)17-8-5-9-18(14-17)21(22,23)24/h2-14H,1H3/b25-20+
InChIKeyFOOILKBLVJOKAP-LKUDQCMESA-N
MW403.43 g/mol
LogP5.24
Rot. Bonds4

About (NE)-4-methyl-N-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide

(NE)-4-methyl-N-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide (PubChem CID 134997730) has the molecular formula C21H16F3NO2S and a molecular weight of 403.43 g/mol. Its IUPAC name is (NE)-4-methyl-N-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
PubChem CID134997730
Molecular FormulaC21H16F3NO2S
Molecular Weight403.43 g/mol
Exact Mass403.09
IUPAC Name(NE)-4-methyl-N-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(\c2ccccc2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C21H16F3NO2S/c1-15-10-12-19(13-11-15)28(26,27)25-20(16-6-3-2-4-7-16)17-8-5-9-18(14-17)21(22,23)24/h2-14H,1H3/b25-20+
InChIKeyFOOILKBLVJOKAP-LKUDQCMESA-N
XLogP5.24
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.43
LogP ≤ 55.24
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

1,3-Diphenylacetone p-tosylhydrazone
CID 88263
1-Propiophenone tosylhydrazone
CID 280394
N'-(Diphenylmethylene)-4-methylbenzenesulfonohydrazide
CID 274531
Mls003115187
CID 315047
N'-(10,11-Dihydro-5H-dibenzo(A,D)cyclohepten-5-ylidene)-4-methylbenzenesulfonohydrazide
CID 2748825
N-benzhydrylidenebenzenesulfinamide
CID 721538
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
N-(1-Benzyl-2-phenyl-ethylidene)-4-methyl-benzenesulfonamide
CID 3259939
1-Hydroxy-2-(4-methylphenyl)sulfonyl-4-phenyl-2,3,1-benzodiazaborinine
CID 13551520
4-methyl-N'-[(1E)-2,2,2-trifluoro-1-phenylethylidene]benzenesulfonohydrazide
CID 5419735
N-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 101441211
4-methyl-N-[(Z)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide
CID 102442285

Frequently Asked Questions

What is the IUPAC name of (NE)-4-methyl-N-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide (CID 134997730) is (NE)-4-methyl-N-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of (NE)-4-methyl-N-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide?
The InChIKey is FOOILKBLVJOKAP-LKUDQCMESA-N. The full InChI is InChI=1S/C21H16F3NO2S/c1-15-10-12-19(13-11-15)28(26,27)25-20(16-6-3-2-4-7-16)17-8-5-9-18(14-17)21(22,23)24/h2-14H,1H3/b25-20+.
What are the key properties of (NE)-4-methyl-N-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide?
(NE)-4-methyl-N-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide has a molecular weight of 403.43 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide is sourced from PubChem (CID 134997730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).