N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide

C18H15FN2O3S — CID 2002760

IUPACN-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C18H15FN2O3S/c1-13-6-9-15(10-7-13)25(22,23)21-20-12-14-8-11-18(24-14)16-4-2-3-5-17(16)19/h2-12,21H,1H3
InChIKeyQAACIASMRMPJCW-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.71
Rot. Bonds5

About N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide

N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 2002760) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
PubChem CID2002760
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC NameN-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C18H15FN2O3S/c1-13-6-9-15(10-7-13)25(22,23)21-20-12-14-8-11-18(24-14)16-4-2-3-5-17(16)19/h2-12,21H,1H3
InChIKeyQAACIASMRMPJCW-UHFFFAOYSA-N
XLogP3.71
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide
CID 5431725
N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3816843
methyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 3429984
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3426936
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide
CID 6287373
N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 4113219
2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide
CID 6888998
4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 5414860
N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 171035196

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide (CID 2002760) is N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NN=Cc2ccc(-c3ccccc3F)o2)cc1.
What is the InChIKey of N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is QAACIASMRMPJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-13-6-9-15(10-7-13)25(22,23)21-20-12-14-8-11-18(24-14)16-4-2-3-5-17(16)19/h2-12,21H,1H3.
What are the key properties of N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide?
N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 358.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2002760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).