(3Z)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide

C24H17FN4O3S — CID 60512082

IUPAC(3Z)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)/C(=C/c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C(=O)N2
InChIInChI=1S/C24H17FN4O3S/c25-17-8-6-15(7-9-17)23-16(14-29(28-23)18-4-2-1-3-5-18)12-21-20-13-19(33(26,31)32)10-11-22(20)27-24(21)30/h1-14H,(H,27,30)(H2,26,31,32)/b21-12-
InChIKeyQRCSVCAYVWNXIX-MTJSOVHGSA-N
MW460.49 g/mol
LogP3.82
Rot. Bonds4

About (3Z)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide

(3Z)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 60512082) has the molecular formula C24H17FN4O3S and a molecular weight of 460.49 g/mol. Its IUPAC name is (3Z)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
PubChem CID60512082
Molecular FormulaC24H17FN4O3S
Molecular Weight460.49 g/mol
Exact Mass460.10
IUPAC Name(3Z)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)/C(=C/c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C(=O)N2
InChIInChI=1S/C24H17FN4O3S/c25-17-8-6-15(7-9-17)23-16(14-29(28-23)18-4-2-1-3-5-18)12-21-20-13-19(33(26,31)32)10-11-22(20)27-24(21)30/h1-14H,(H,27,30)(H2,26,31,32)/b21-12-
InChIKeyQRCSVCAYVWNXIX-MTJSOVHGSA-N
XLogP3.82
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
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 (3Z)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 60512082) is (3Z)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)/C(=C/c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C(=O)N2.
What is the InChIKey of (3Z)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is QRCSVCAYVWNXIX-MTJSOVHGSA-N. The full InChI is InChI=1S/C24H17FN4O3S/c25-17-8-6-15(7-9-17)23-16(14-29(28-23)18-4-2-1-3-5-18)12-21-20-13-19(33(26,31)32)10-11-22(20)27-24(21)30/h1-14H,(H,27,30)(H2,26,31,32)/b21-12-.
What are the key properties of (3Z)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?
(3Z)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 460.49 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 60512082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).