N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide

C13H11FN2O2S — CID 6894293

IUPACN-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccccc1F)c1ccccc1
InChIInChI=1S/C13H11FN2O2S/c14-13-9-5-4-6-11(13)10-15-16-19(17,18)12-7-2-1-3-8-12/h1-10,16H/b15-10+
InChIKeyCFMMQIQAJHLTTL-XNTDXEJSSA-N
MW278.31 g/mol
LogP2.14
Rot. Bonds4

About N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide

N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide (PubChem CID 6894293) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide
PubChem CID6894293
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC NameN-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccccc1F)c1ccccc1
InChIInChI=1S/C13H11FN2O2S/c14-13-9-5-4-6-11(13)10-15-16-19(17,18)12-7-2-1-3-8-12/h1-10,16H/b15-10+
InChIKeyCFMMQIQAJHLTTL-XNTDXEJSSA-N
XLogP2.14
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.14
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-[(2-chlorophenyl)methylideneamino]benzenesulfonamide
CID 1474680
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide
CID 6897306
2-[(E)-(benzenesulfonylhydrazinylidene)methyl]benzoic acid
CID 6908575
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5387404
4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516458
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 4992291
N-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide
CID 881745
N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643075
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 139074353
N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 6116874
4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 1349846

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide (CID 6894293) is N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide is O=S(=O)(N/N=C/c1ccccc1F)c1ccccc1.
What is the InChIKey of N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide?
The InChIKey is CFMMQIQAJHLTTL-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H11FN2O2S/c14-13-9-5-4-6-11(13)10-15-16-19(17,18)12-7-2-1-3-8-12/h1-10,16H/b15-10+.
What are the key properties of N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide?
N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide has a molecular weight of 278.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 6894293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).