(NE,S)-N-[(4-fluorophenyl)methylidene]-4-methylbenzenesulfinamide

C14H12FNOS — CID 10825309

IUPAC(NE,S)-N-[(4-fluorophenyl)methylidene]-4-methylbenzenesulfinamide
SMILESCc1ccc([S@](=O)/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FNOS/c1-11-2-8-14(9-3-11)18(17)16-10-12-4-6-13(15)7-5-12/h2-10H,1H3/b16-10+/t18-/m0/s1
InChIKeyNTBRTDBJPTUDJV-BXBHGGAKSA-N
MW261.32 g/mol
LogP3.28
Rot. Bonds3

About (NE,S)-N-[(4-fluorophenyl)methylidene]-4-methylbenzenesulfinamide

(NE,S)-N-[(4-fluorophenyl)methylidene]-4-methylbenzenesulfinamide (PubChem CID 10825309) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is (NE,S)-N-[(4-fluorophenyl)methylidene]-4-methylbenzenesulfinamide.

Molecular Properties

Compound Name(NE,S)-N-[(4-fluorophenyl)methylidene]-4-methylbenzenesulfinamide
PubChem CID10825309
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name(NE,S)-N-[(4-fluorophenyl)methylidene]-4-methylbenzenesulfinamide
SMILESCc1ccc([S@](=O)/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FNOS/c1-11-2-8-14(9-3-11)18(17)16-10-12-4-6-13(15)7-5-12/h2-10H,1H3/b16-10+/t18-/m0/s1
InChIKeyNTBRTDBJPTUDJV-BXBHGGAKSA-N
XLogP3.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzaldehyde p-Toluenesulfonylhydrazone
CID 5368186
Benzenesulfonic acid, benzylidenehydrazide
CID 6863031
N'-[(E)-(2-fluorophenyl)methylidene]benzenesulfonohydrazide
CID 6894293
N-Benzylidenebenzenesulfonamide
CID 555202
N-Benzylidene-4-methylbenzensulfonamide
CID 2755668
N-(4-Methylbenzylidene)-4-methylbenzenesulfonamide
CID 9581574
Benzenesulfonamide, N-(phenylmethylene)-
CID 9602006
N'-[(E)-(4-fluorophenyl)methylidene]benzenesulfonohydrazide
CID 6908541
N-(2-fluorobenzylidene)(4-sulfonamidephenyl)ethanamine
CID 44221942
N-[(Z)-(3-fluorophenyl)methylideneamino]benzenesulfonamide
CID 5414856
N,4-dimethyl-N'-[(1E)-(4-methylphenyl)methylene]benzenesulfonohydrazide
CID 9645309
N-(4-Fluorobenzylidene)-4-methylbenzenesulfonamide
CID 9581544

Frequently Asked Questions

What is the IUPAC name of (NE,S)-N-[(4-fluorophenyl)methylidene]-4-methylbenzenesulfinamide?
The IUPAC name of (NE,S)-N-[(4-fluorophenyl)methylidene]-4-methylbenzenesulfinamide (CID 10825309) is (NE,S)-N-[(4-fluorophenyl)methylidene]-4-methylbenzenesulfinamide.
What is the SMILES notation for (NE,S)-N-[(4-fluorophenyl)methylidene]-4-methylbenzenesulfinamide?
The canonical SMILES for (NE,S)-N-[(4-fluorophenyl)methylidene]-4-methylbenzenesulfinamide is Cc1ccc([S@](=O)/N=C/c2ccc(F)cc2)cc1.
What is the InChIKey of (NE,S)-N-[(4-fluorophenyl)methylidene]-4-methylbenzenesulfinamide?
The InChIKey is NTBRTDBJPTUDJV-BXBHGGAKSA-N. The full InChI is InChI=1S/C14H12FNOS/c1-11-2-8-14(9-3-11)18(17)16-10-12-4-6-13(15)7-5-12/h2-10H,1H3/b16-10+/t18-/m0/s1.
What are the key properties of (NE,S)-N-[(4-fluorophenyl)methylidene]-4-methylbenzenesulfinamide?
(NE,S)-N-[(4-fluorophenyl)methylidene]-4-methylbenzenesulfinamide has a molecular weight of 261.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-N-[(4-fluorophenyl)methylidene]-4-methylbenzenesulfinamide is sourced from PubChem (CID 10825309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).