4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide

C15H15FN2O3S — CID 2643152

IUPAC4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FN2O3S/c1-2-21-14-7-9-15(10-8-14)22(19,20)18-17-11-12-3-5-13(16)6-4-12/h3-11,18H,2H2,1H3
InChIKeyPQTBLNQYZXBGGY-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.54
Rot. Bonds6

About 4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide

4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide (PubChem CID 2643152) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
PubChem CID2643152
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Name4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FN2O3S/c1-2-21-14-7-9-15(10-8-14)22(19,20)18-17-11-12-3-5-13(16)6-4-12/h3-11,18H,2H2,1H3
InChIKeyPQTBLNQYZXBGGY-UHFFFAOYSA-N
XLogP2.54
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.54
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-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
4-ethoxy-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516725
2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide
CID 6064390
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-fluorobenzenesulfonamide
CID 136873420
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516704
4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide
CID 3376258
4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 6910172
N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzenesulfonamide
CID 17338070
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 6908628
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-ethoxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 135614386

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide (CID 2643152) is 4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NN=Cc2ccc(F)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide?
The InChIKey is PQTBLNQYZXBGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-2-21-14-7-9-15(10-8-14)22(19,20)18-17-11-12-3-5-13(16)6-4-12/h3-11,18H,2H2,1H3.
What are the key properties of 4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide?
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide has a molecular weight of 322.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 2643152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).