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

C19H15N3O3S — CID 23647623

IUPAC(3Z)-2-oxo-3-[phenyl(1H-pyrrol-2-yl)methylidene]-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)/C(=C(\c1ccccc1)c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C19H15N3O3S/c20-26(24,25)13-8-9-15-14(11-13)18(19(23)22-15)17(16-7-4-10-21-16)12-5-2-1-3-6-12/h1-11,21H,(H,22,23)(H2,20,24,25)/b18-17-
InChIKeyFESNXQRYCOTXKR-ZCXUNETKSA-N
MW365.41 g/mol
LogP2.57
Rot. Bonds3

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

(3Z)-2-oxo-3-[phenyl(1H-pyrrol-2-yl)methylidene]-1H-indole-5-sulfonamide (PubChem CID 23647623) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is (3Z)-2-oxo-3-[phenyl(1H-pyrrol-2-yl)methylidene]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-2-oxo-3-[phenyl(1H-pyrrol-2-yl)methylidene]-1H-indole-5-sulfonamide
PubChem CID23647623
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name(3Z)-2-oxo-3-[phenyl(1H-pyrrol-2-yl)methylidene]-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)/C(=C(\c1ccccc1)c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C19H15N3O3S/c20-26(24,25)13-8-9-15-14(11-13)18(19(23)22-15)17(16-7-4-10-21-16)12-5-2-1-3-6-12/h1-11,21H,(H,22,23)(H2,20,24,25)/b18-17-
InChIKeyFESNXQRYCOTXKR-ZCXUNETKSA-N
XLogP2.57
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-2-oxo-3-[phenyl(1H-pyrrol-2-yl)methylidene]-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-2-oxo-3-[phenyl(1H-pyrrol-2-yl)methylidene]-1H-indole-5-sulfonamide (CID 23647623) is (3Z)-2-oxo-3-[phenyl(1H-pyrrol-2-yl)methylidene]-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-2-oxo-3-[phenyl(1H-pyrrol-2-yl)methylidene]-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-2-oxo-3-[phenyl(1H-pyrrol-2-yl)methylidene]-1H-indole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)/C(=C(\c1ccccc1)c1ccc[nH]1)C(=O)N2.
What is the InChIKey of (3Z)-2-oxo-3-[phenyl(1H-pyrrol-2-yl)methylidene]-1H-indole-5-sulfonamide?
The InChIKey is FESNXQRYCOTXKR-ZCXUNETKSA-N. The full InChI is InChI=1S/C19H15N3O3S/c20-26(24,25)13-8-9-15-14(11-13)18(19(23)22-15)17(16-7-4-10-21-16)12-5-2-1-3-6-12/h1-11,21H,(H,22,23)(H2,20,24,25)/b18-17-.
What are the key properties of (3Z)-2-oxo-3-[phenyl(1H-pyrrol-2-yl)methylidene]-1H-indole-5-sulfonamide?
(3Z)-2-oxo-3-[phenyl(1H-pyrrol-2-yl)methylidene]-1H-indole-5-sulfonamide has a molecular weight of 365.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-oxo-3-[phenyl(1H-pyrrol-2-yl)methylidene]-1H-indole-5-sulfonamide is sourced from PubChem (CID 23647623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).