4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide

C18H16N2O3S — CID 958545

IUPAC4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)c2ccccc12
InChIInChI=1S/C18H16N2O3S/c1-23-18-11-6-13(16-4-2-3-5-17(16)18)12-20-14-7-9-15(10-8-14)24(19,21)22/h2-12H,1H3,(H2,19,21,22)/b20-12+
InChIKeyQGYULOBIRFVFOW-UDWIEESQSA-N
MW340.40 g/mol
LogP3.25
Rot. Bonds4

About 4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide

4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide (PubChem CID 958545) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
PubChem CID958545
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)c2ccccc12
InChIInChI=1S/C18H16N2O3S/c1-23-18-11-6-13(16-4-2-3-5-17(16)18)12-20-14-7-9-15(10-8-14)24(19,21)22/h2-12H,1H3,(H2,19,21,22)/b20-12+
InChIKeyQGYULOBIRFVFOW-UDWIEESQSA-N
XLogP3.25
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.25
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-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide (CID 958545) is 4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide is COc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)c2ccccc12.
What is the InChIKey of 4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide?
The InChIKey is QGYULOBIRFVFOW-UDWIEESQSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-23-18-11-6-13(16-4-2-3-5-17(16)18)12-20-14-7-9-15(10-8-14)24(19,21)22/h2-12H,1H3,(H2,19,21,22)/b20-12+.
What are the key properties of 4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide?
4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide has a molecular weight of 340.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 958545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).