N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide

C15H15FN2O2S — CID 10357801

IUPACN-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccccc2CF)cc1
InChIInChI=1S/C15H15FN2O2S/c1-12-6-8-15(9-7-12)21(19,20)18-17-11-14-5-3-2-4-13(14)10-16/h2-9,11,18H,10H2,1H3/b17-11+
InChIKeyJGVXNFGRWGABBG-GZTJUZNOSA-N
MW306.36 g/mol
LogP2.78
Rot. Bonds5

About N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide

N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 10357801) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide
PubChem CID10357801
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccccc2CF)cc1
InChIInChI=1S/C15H15FN2O2S/c1-12-6-8-15(9-7-12)21(19,20)18-17-11-14-5-3-2-4-13(14)10-16/h2-9,11,18H,10H2,1H3/b17-11+
InChIKeyJGVXNFGRWGABBG-GZTJUZNOSA-N
XLogP2.78
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.78
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-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 175789104
N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 4113219
4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 5414860
2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid
CID 74699055
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459
4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516458
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
4-methyl-N-[(E)-pyren-1-ylmethylideneamino]benzenesulfonamide
CID 15103006
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 171035196
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 91972454
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 9073491

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide (CID 10357801) is N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2CF)cc1.
What is the InChIKey of N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is JGVXNFGRWGABBG-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-12-6-8-15(9-7-12)21(19,20)18-17-11-14-5-3-2-4-13(14)10-16/h2-9,11,18H,10H2,1H3/b17-11+.
What are the key properties of N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 306.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10357801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).