4-[(E)-2-(3-methoxyphenyl)ethenyl]benzenesulfonamide

C15H15NO3S — CID 5472641

IUPAC4-[(E)-2-(3-methoxyphenyl)ethenyl]benzenesulfonamide
SMILESCOc1cccc(/C=C/c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H15NO3S/c1-19-14-4-2-3-13(11-14)6-5-12-7-9-15(10-8-12)20(16,17)18/h2-11H,1H3,(H2,16,17,18)/b6-5+
InChIKeyVVJJGULCSHBLBE-AATRIKPKSA-N
MW289.36 g/mol
LogP2.51
Rot. Bonds4

About 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzenesulfonamide

4-[(E)-2-(3-methoxyphenyl)ethenyl]benzenesulfonamide (PubChem CID 5472641) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-2-(3-methoxyphenyl)ethenyl]benzenesulfonamide
PubChem CID5472641
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name4-[(E)-2-(3-methoxyphenyl)ethenyl]benzenesulfonamide
SMILESCOc1cccc(/C=C/c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H15NO3S/c1-19-14-4-2-3-13(11-14)6-5-12-7-9-15(10-8-12)20(16,17)18/h2-11H,1H3,(H2,16,17,18)/b6-5+
InChIKeyVVJJGULCSHBLBE-AATRIKPKSA-N
XLogP2.51
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Methoxybenzylidene)-4-methylbenzenesulfonamide
CID 5706325
4-(Benzyloxy)benzene-1-sulfonamide
CID 19374444
4-[6-[4-Methoxyphenyl]spiro[2.4]hept-5-en-5-yl]benzenesulfonamide
CID 10784411
4-[2-(3-Fluoro-4-methoxy-phenyl)-cyclopent-1-enyl]-benzenesulfonamide
CID 10269175
4-[4,5-Difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10385880
4-[(4-Methoxyphenyl)tellanylmethyl]benzenesulfonamide
CID 155523492
4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide
CID 155526811
4-[(1E,4E)-5-(2,5-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide
CID 155567282
4-{4-[4-(Aminosulfonyl)-3-methylphenoxy]butoxy}-2-methyl-1-benzenesulfonamide
CID 2269187
4-(2-(4-Methoxyphenyl)cyclopent-1-enyl)benzenesulfonamide
CID 10592466
4-[6-(3-Fluoro-4-methoxy-phenyl)-spiro[2.4]hept-5-en-5-yl]-benzenesulfonamide
CID 10643086
3-Fluoro-4-methoxy-[1,1'';2'',1'''']terphenyl-4''''-sulfonic acid amide
CID 10808251

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzenesulfonamide?
The IUPAC name of 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzenesulfonamide (CID 5472641) is 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzenesulfonamide?
The canonical SMILES for 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzenesulfonamide is COc1cccc(/C=C/c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzenesulfonamide?
The InChIKey is VVJJGULCSHBLBE-AATRIKPKSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-19-14-4-2-3-13(11-14)6-5-12-7-9-15(10-8-12)20(16,17)18/h2-11H,1H3,(H2,16,17,18)/b6-5+.
What are the key properties of 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzenesulfonamide?
4-[(E)-2-(3-methoxyphenyl)ethenyl]benzenesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzenesulfonamide is sourced from PubChem (CID 5472641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).