(NE)-N-[(3-fluorophenyl)methylidene]-4-methylbenzenesulfonamide

C14H12FNO2S — CID 11437368

IUPAC(NE)-N-[(3-fluorophenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/c2cccc(F)c2)cc1
InChIInChI=1S/C14H12FNO2S/c1-11-5-7-14(8-6-11)19(17,18)16-10-12-3-2-4-13(15)9-12/h2-10H,1H3/b16-10+
InChIKeyGPHVYIHBOVNROJ-MHWRWJLKSA-N
MW277.32 g/mol
LogP2.94
Rot. Bonds3

About (NE)-N-[(3-fluorophenyl)methylidene]-4-methylbenzenesulfonamide

(NE)-N-[(3-fluorophenyl)methylidene]-4-methylbenzenesulfonamide (PubChem CID 11437368) has the molecular formula C14H12FNO2S and a molecular weight of 277.32 g/mol. Its IUPAC name is (NE)-N-[(3-fluorophenyl)methylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(3-fluorophenyl)methylidene]-4-methylbenzenesulfonamide
PubChem CID11437368
Molecular FormulaC14H12FNO2S
Molecular Weight277.32 g/mol
Exact Mass277.06
IUPAC Name(NE)-N-[(3-fluorophenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/c2cccc(F)c2)cc1
InChIInChI=1S/C14H12FNO2S/c1-11-5-7-14(8-6-11)19(17,18)16-10-12-3-2-4-13(15)9-12/h2-10H,1H3/b16-10+
InChIKeyGPHVYIHBOVNROJ-MHWRWJLKSA-N
XLogP2.94
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3-fluorophenyl)methylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[(3-fluorophenyl)methylidene]-4-methylbenzenesulfonamide (CID 11437368) is (NE)-N-[(3-fluorophenyl)methylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[(3-fluorophenyl)methylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[(3-fluorophenyl)methylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C/c2cccc(F)c2)cc1.
What is the InChIKey of (NE)-N-[(3-fluorophenyl)methylidene]-4-methylbenzenesulfonamide?
The InChIKey is GPHVYIHBOVNROJ-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H12FNO2S/c1-11-5-7-14(8-6-11)19(17,18)16-10-12-3-2-4-13(15)9-12/h2-10H,1H3/b16-10+.
What are the key properties of (NE)-N-[(3-fluorophenyl)methylidene]-4-methylbenzenesulfonamide?
(NE)-N-[(3-fluorophenyl)methylidene]-4-methylbenzenesulfonamide has a molecular weight of 277.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3-fluorophenyl)methylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11437368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).