(3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide

C15H10Br2N2O4S — CID 67016892

IUPAC(3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)N2
InChIInChI=1S/C15H10Br2N2O4S/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(24(18,22)23)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)(H2,18,22,23)/b10-3-
InChIKeyIDPQLPACVLRNIJ-KMKOMSMNSA-N
MW474.13 g/mol
LogP3.06
Rot. Bonds2

About (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide

(3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 67016892) has the molecular formula C15H10Br2N2O4S and a molecular weight of 474.13 g/mol. Its IUPAC name is (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide
PubChem CID67016892
Molecular FormulaC15H10Br2N2O4S
Molecular Weight474.13 g/mol
Exact Mass471.87
IUPAC Name(3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)N2
InChIInChI=1S/C15H10Br2N2O4S/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(24(18,22)23)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)(H2,18,22,23)/b10-3-
InChIKeyIDPQLPACVLRNIJ-KMKOMSMNSA-N
XLogP3.06
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.13
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 67016892) is (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)N2.
What is the InChIKey of (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is IDPQLPACVLRNIJ-KMKOMSMNSA-N. The full InChI is InChI=1S/C15H10Br2N2O4S/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(24(18,22)23)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)(H2,18,22,23)/b10-3-.
What are the key properties of (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
(3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 474.13 g/mol, XLogP of 3.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 67016892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).