4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide

C16H18N2O3S — CID 118736318

IUPAC4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESCOc1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-21-15-6-2-14(3-7-15)12-18-11-10-13-4-8-16(9-5-13)22(17,19)20/h2-9,12H,10-11H2,1H3,(H2,17,19,20)/b18-12+
InChIKeyGEYYVJRDSWPKGQ-LDADJPATSA-N
MW318.40 g/mol
LogP2.00
Rot. Bonds6

About 4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide

4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide (PubChem CID 118736318) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide
PubChem CID118736318
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESCOc1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-21-15-6-2-14(3-7-15)12-18-11-10-13-4-8-16(9-5-13)22(17,19)20/h2-9,12H,10-11H2,1H3,(H2,17,19,20)/b18-12+
InChIKeyGEYYVJRDSWPKGQ-LDADJPATSA-N
XLogP2.00
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.00
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-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide (CID 118736318) is 4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide is COc1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The InChIKey is GEYYVJRDSWPKGQ-LDADJPATSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-21-15-6-2-14(3-7-15)12-18-11-10-13-4-8-16(9-5-13)22(17,19)20/h2-9,12H,10-11H2,1H3,(H2,17,19,20)/b18-12+.
What are the key properties of 4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide has a molecular weight of 318.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 118736318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).