(3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide

C18H16N2O4S — CID 60512344

IUPAC(3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide
SMILESC=CCOc1ccccc1/C=C1/C(=O)Nc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C18H16N2O4S/c1-2-9-24-17-6-4-3-5-12(17)10-15-14-11-13(25(19,22)23)7-8-16(14)20-18(15)21/h2-8,10-11H,1,9H2,(H,20,21)(H2,19,22,23)/b15-10+
InChIKeyKABJLGVHUSFQRL-XNTDXEJSSA-N
MW356.40 g/mol
LogP2.39
Rot. Bonds5

About (3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide

(3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide (PubChem CID 60512344) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is (3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide
PubChem CID60512344
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name(3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide
SMILESC=CCOc1ccccc1/C=C1/C(=O)Nc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C18H16N2O4S/c1-2-9-24-17-6-4-3-5-12(17)10-15-14-11-13(25(19,22)23)7-8-16(14)20-18(15)21/h2-8,10-11H,1,9H2,(H,20,21)(H2,19,22,23)/b15-10+
InChIKeyKABJLGVHUSFQRL-XNTDXEJSSA-N
XLogP2.39
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide?
The IUPAC name of (3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide (CID 60512344) is (3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide.
What is the SMILES notation for (3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide?
The canonical SMILES for (3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide is C=CCOc1ccccc1/C=C1/C(=O)Nc2ccc(S(N)(=O)=O)cc21.
What is the InChIKey of (3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide?
The InChIKey is KABJLGVHUSFQRL-XNTDXEJSSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-2-9-24-17-6-4-3-5-12(17)10-15-14-11-13(25(19,22)23)7-8-16(14)20-18(15)21/h2-8,10-11H,1,9H2,(H,20,21)(H2,19,22,23)/b15-10+.
What are the key properties of (3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide?
(3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide has a molecular weight of 356.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide is sourced from PubChem (CID 60512344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).