4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide

C19H19NO5S — CID 155526811

IUPAC4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide
SMILESCOc1ccc(/C=C/C(=O)/C=C/c2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C19H19NO5S/c1-24-18-12-7-15(13-19(18)25-2)4-9-16(21)8-3-14-5-10-17(11-6-14)26(20,22)23/h3-13H,1-2H3,(H2,20,22,23)/b8-3+,9-4+
InChIKeyKBEGUMUZYJSLMK-BQYBEJQRSA-N
MW373.43 g/mol
LogP2.65
Rot. Bonds7

About 4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide

4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide (PubChem CID 155526811) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide
PubChem CID155526811
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide
SMILESCOc1ccc(/C=C/C(=O)/C=C/c2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C19H19NO5S/c1-24-18-12-7-15(13-19(18)25-2)4-9-16(21)8-3-14-5-10-17(11-6-14)26(20,22)23/h3-13H,1-2H3,(H2,20,22,23)/b8-3+,9-4+
InChIKeyKBEGUMUZYJSLMK-BQYBEJQRSA-N
XLogP2.65
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide?
The IUPAC name of 4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide (CID 155526811) is 4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide?
The canonical SMILES for 4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide is COc1ccc(/C=C/C(=O)/C=C/c2ccc(S(N)(=O)=O)cc2)cc1OC.
What is the InChIKey of 4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide?
The InChIKey is KBEGUMUZYJSLMK-BQYBEJQRSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-24-18-12-7-15(13-19(18)25-2)4-9-16(21)8-3-14-5-10-17(11-6-14)26(20,22)23/h3-13H,1-2H3,(H2,20,22,23)/b8-3+,9-4+.
What are the key properties of 4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide?
4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide has a molecular weight of 373.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide is sourced from PubChem (CID 155526811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).