N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide

C15H15FN2O2S — CID 174212459

IUPACN-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccc(C)cc2F)cc1
InChIInChI=1S/C15H15FN2O2S/c1-11-4-7-14(8-5-11)21(19,20)18-17-10-13-6-3-12(2)9-15(13)16/h3-10,18H,1-2H3
InChIKeyXSLLKFVGNVPRGA-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.75
Rot. Bonds4

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

N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 174212459) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID174212459
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccc(C)cc2F)cc1
InChIInChI=1S/C15H15FN2O2S/c1-11-4-7-14(8-5-11)21(19,20)18-17-10-13-6-3-12(2)9-15(13)16/h3-10,18H,1-2H3
InChIKeyXSLLKFVGNVPRGA-UHFFFAOYSA-N
XLogP2.75
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.75
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-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 171035196
N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 171034814
4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide
CID 6898223
N-[(2,4-dichlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 668213
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-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135541690
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 136774445
4-methyl-N-[(E)-pyren-1-ylmethylideneamino]benzenesulfonamide
CID 15103006
N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline
CID 9461340
N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide
CID 6894293

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 174212459) is N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NN=Cc2ccc(C)cc2F)cc1.
What is the InChIKey of N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is XSLLKFVGNVPRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-11-4-7-14(8-5-11)21(19,20)18-17-10-13-6-3-12(2)9-15(13)16/h3-10,18H,1-2H3.
What are the key properties of N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 306.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 174212459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).