(NE)-N-[1-(4-methoxyphenyl)ethylidene]benzenesulfonamide

C15H15NO3S — CID 134999077

IUPAC(NE)-N-[1-(4-methoxyphenyl)ethylidene]benzenesulfonamide
SMILESCOc1ccc(/C(C)=N/S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-12(13-8-10-14(19-2)11-9-13)16-20(17,18)15-6-4-3-5-7-15/h3-11H,1-2H3/b16-12+
InChIKeyXRXZMZVLLMYYTR-FOWTUZBSSA-N
MW289.36 g/mol
LogP2.89
Rot. Bonds4

About (NE)-N-[1-(4-methoxyphenyl)ethylidene]benzenesulfonamide

(NE)-N-[1-(4-methoxyphenyl)ethylidene]benzenesulfonamide (PubChem CID 134999077) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is (NE)-N-[1-(4-methoxyphenyl)ethylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[1-(4-methoxyphenyl)ethylidene]benzenesulfonamide
PubChem CID134999077
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name(NE)-N-[1-(4-methoxyphenyl)ethylidene]benzenesulfonamide
SMILESCOc1ccc(/C(C)=N/S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-12(13-8-10-14(19-2)11-9-13)16-20(17,18)15-6-4-3-5-7-15/h3-11H,1-2H3/b16-12+
InChIKeyXRXZMZVLLMYYTR-FOWTUZBSSA-N
XLogP2.89
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (NE)-N-[1-(4-methoxyphenyl)ethylidene]benzenesulfonamide?
The IUPAC name of (NE)-N-[1-(4-methoxyphenyl)ethylidene]benzenesulfonamide (CID 134999077) is (NE)-N-[1-(4-methoxyphenyl)ethylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-N-[1-(4-methoxyphenyl)ethylidene]benzenesulfonamide?
The canonical SMILES for (NE)-N-[1-(4-methoxyphenyl)ethylidene]benzenesulfonamide is COc1ccc(/C(C)=N/S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (NE)-N-[1-(4-methoxyphenyl)ethylidene]benzenesulfonamide?
The InChIKey is XRXZMZVLLMYYTR-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-12(13-8-10-14(19-2)11-9-13)16-20(17,18)15-6-4-3-5-7-15/h3-11H,1-2H3/b16-12+.
What are the key properties of (NE)-N-[1-(4-methoxyphenyl)ethylidene]benzenesulfonamide?
(NE)-N-[1-(4-methoxyphenyl)ethylidene]benzenesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-methoxyphenyl)ethylidene]benzenesulfonamide is sourced from PubChem (CID 134999077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).