N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

C17H20N2O4S — CID 6871474

IUPACN-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C17H20N2O4S/c1-4-23-16-10-7-14(11-17(16)22-3)12-18-19-24(20,21)15-8-5-13(2)6-9-15/h5-12,19H,4H2,1-3H3/b18-12+
InChIKeyBZMKOCXVWQIPGE-LDADJPATSA-N
MW348.42 g/mol
LogP2.71
Rot. Bonds7

About N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 6871474) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID6871474
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C17H20N2O4S/c1-4-23-16-10-7-14(11-17(16)22-3)12-18-19-24(20,21)15-8-5-13(2)6-9-15/h5-12,19H,4H2,1-3H3/b18-12+
InChIKeyBZMKOCXVWQIPGE-LDADJPATSA-N
XLogP2.71
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 6871474) is N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is BZMKOCXVWQIPGE-LDADJPATSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-23-16-10-7-14(11-17(16)22-3)12-18-19-24(20,21)15-8-5-13(2)6-9-15/h5-12,19H,4H2,1-3H3/b18-12+.
What are the key properties of N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6871474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).