4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide

C14H13FN2O2S — CID 110516458

IUPAC4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccccc1/C=N/NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2S/c1-11-4-2-3-5-12(11)10-16-17-20(18,19)14-8-6-13(15)7-9-14/h2-10,17H,1H3/b16-10+
InChIKeyVBOJVQXFIZXYDI-MHWRWJLKSA-N
MW292.34 g/mol
LogP2.45
Rot. Bonds4

About 4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide

4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 110516458) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
PubChem CID110516458
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC Name4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccccc1/C=N/NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2S/c1-11-4-2-3-5-12(11)10-16-17-20(18,19)14-8-6-13(15)7-9-14/h2-10,17H,1H3/b16-10+
InChIKeyVBOJVQXFIZXYDI-MHWRWJLKSA-N
XLogP2.45
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide
CID 6894293
N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 4113219
4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 5414860
N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 10357801
N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 171034814
4-fluoro-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzenesulfonamide
CID 135455624
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 4992291
N-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide
CID 881745
4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 5233908
N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 175789104
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459
2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid
CID 74699055

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide (CID 110516458) is 4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide is Cc1ccccc1/C=N/NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is VBOJVQXFIZXYDI-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-11-4-2-3-5-12(11)10-16-17-20(18,19)14-8-6-13(15)7-9-14/h2-10,17H,1H3/b16-10+.
What are the key properties of 4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide?
4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 292.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 110516458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).