(3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

C18H15N3O3S — CID 6419747

IUPAC(3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCn1cc(/C=C2\C(=O)Nc3ccc(S(N)(=O)=O)cc32)c2ccccc21
InChIInChI=1S/C18H15N3O3S/c1-21-10-11(13-4-2-3-5-17(13)21)8-15-14-9-12(25(19,23)24)6-7-16(14)20-18(15)22/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-8-
InChIKeyMLKHXLFEYOOYEY-NVNXTCNLSA-N
MW353.40 g/mol
LogP2.32
Rot. Bonds2

About (3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

(3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 6419747) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is (3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
PubChem CID6419747
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name(3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCn1cc(/C=C2\C(=O)Nc3ccc(S(N)(=O)=O)cc32)c2ccccc21
InChIInChI=1S/C18H15N3O3S/c1-21-10-11(13-4-2-3-5-17(13)21)8-15-14-9-12(25(19,23)24)6-7-16(14)20-18(15)22/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-8-
InChIKeyMLKHXLFEYOOYEY-NVNXTCNLSA-N
XLogP2.32
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 6419747) is (3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is Cn1cc(/C=C2\C(=O)Nc3ccc(S(N)(=O)=O)cc32)c2ccccc21.
What is the InChIKey of (3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is MLKHXLFEYOOYEY-NVNXTCNLSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-21-10-11(13-4-2-3-5-17(13)21)8-15-14-9-12(25(19,23)24)6-7-16(14)20-18(15)22/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-8-.
What are the key properties of (3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
(3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 353.40 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 6419747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).