4-[(4-methoxyphenyl)methylideneamino]benzenesulfonamide

C14H14N2O3S — CID 625902

IUPAC4-[(4-methoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H14N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
InChIKeyMLUHDVSELBSKPI-MHWRWJLKSA-N
MW290.34 g/mol
LogP2.09
Rot. Bonds4

About 4-[(4-methoxyphenyl)methylideneamino]benzenesulfonamide

4-[(4-methoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 625902) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID625902
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4-[(4-methoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H14N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
InChIKeyMLUHDVSELBSKPI-MHWRWJLKSA-N
XLogP2.09
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(4-methoxyphenyl)methylideneamino]benzenesulfonamide (CID 625902) is 4-[(4-methoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methylideneamino]benzenesulfonamide is COc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is MLUHDVSELBSKPI-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+.
What are the key properties of 4-[(4-methoxyphenyl)methylideneamino]benzenesulfonamide?
4-[(4-methoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 290.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 625902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).