(NE)-N-[(2-fluorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide

C20H16FNO2S — CID 24741375

IUPAC(NE)-N-[(2-fluorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(\c2ccccc2)c2ccccc2F)cc1
InChIInChI=1S/C20H16FNO2S/c1-15-11-13-17(14-12-15)25(23,24)22-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)21/h2-14H,1H3/b22-20+
InChIKeyNSWHCNSWZWBSJZ-LSDHQDQOSA-N
MW353.42 g/mol
LogP4.36
Rot. Bonds4

About (NE)-N-[(2-fluorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide

(NE)-N-[(2-fluorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide (PubChem CID 24741375) has the molecular formula C20H16FNO2S and a molecular weight of 353.42 g/mol. Its IUPAC name is (NE)-N-[(2-fluorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(2-fluorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide
PubChem CID24741375
Molecular FormulaC20H16FNO2S
Molecular Weight353.42 g/mol
Exact Mass353.09
IUPAC Name(NE)-N-[(2-fluorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(\c2ccccc2)c2ccccc2F)cc1
InChIInChI=1S/C20H16FNO2S/c1-15-11-13-17(14-12-15)25(23,24)22-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)21/h2-14H,1H3/b22-20+
InChIKeyNSWHCNSWZWBSJZ-LSDHQDQOSA-N
XLogP4.36
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.36
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'-(3,4-Dihydronaphthalen-1(2H)-ylidene)-4-methylbenzene-1-sulfonohydrazide
CID 280414
4-tert-butyl-N'-[(1E)-1-phenylethylidene]benzenesulfonohydrazide
CID 9639996
N'-(Diphenylmethylene)-4-methylbenzenesulfonohydrazide
CID 274531
Mls003115187
CID 315047
N-(4-Fluorobenzylidene)-4-methylbenzenesulfonamide
CID 9581544
N'-(10,11-Dihydro-5H-dibenzo(A,D)cyclohepten-5-ylidene)-4-methylbenzenesulfonohydrazide
CID 2748825
AK-968/41924838
CID 5412472
4-Methyl-N'-(1-phenylethylidene)benzene-1-sulfonohydrazide
CID 277864
N-Tosyl(4-fluorophenyl)methanimine
CID 766942
N-(3-Fluorobenzylidene)-4-methylbenzenesulfonamide
CID 11437368

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-fluorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[(2-fluorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide (CID 24741375) is (NE)-N-[(2-fluorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[(2-fluorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[(2-fluorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)c2ccccc2F)cc1.
What is the InChIKey of (NE)-N-[(2-fluorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide?
The InChIKey is NSWHCNSWZWBSJZ-LSDHQDQOSA-N. The full InChI is InChI=1S/C20H16FNO2S/c1-15-11-13-17(14-12-15)25(23,24)22-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)21/h2-14H,1H3/b22-20+.
What are the key properties of (NE)-N-[(2-fluorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide?
(NE)-N-[(2-fluorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide has a molecular weight of 353.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-fluorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 24741375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).