(3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

C13H12N4O3S — CID 94468993

IUPAC(3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCn1cc(/C=C2/C(=O)Nc3ccc(S(N)(=O)=O)cc32)cn1
InChIInChI=1S/C13H12N4O3S/c1-17-7-8(6-15-17)4-11-10-5-9(21(14,19)20)2-3-12(10)16-13(11)18/h2-7H,1H3,(H,16,18)(H2,14,19,20)/b11-4+
InChIKeyQEKJWOKGCNMZQP-NYYWCZLTSA-N
MW304.33 g/mol
LogP0.56
Rot. Bonds2

About (3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

(3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 94468993) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is (3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
PubChem CID94468993
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name(3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCn1cc(/C=C2/C(=O)Nc3ccc(S(N)(=O)=O)cc32)cn1
InChIInChI=1S/C13H12N4O3S/c1-17-7-8(6-15-17)4-11-10-5-9(21(14,19)20)2-3-12(10)16-13(11)18/h2-7H,1H3,(H,16,18)(H2,14,19,20)/b11-4+
InChIKeyQEKJWOKGCNMZQP-NYYWCZLTSA-N
XLogP0.56
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-5-chloro-3-[(1-methylpyrazol-4-yl)methylidene]-1H-indol-2-one
CID 17404110
(3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 94468994
(3E)-3-[(3-nitro-4-propan-2-ylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 60512255
3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 67114937
methyl 2-[4-[(E)-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)methyl]phenoxy]propanoate
CID 166217975
3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 57044028
(3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 60512254
3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 57269263
(3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide
CID 60512344
(3Z)-3-[[3,5-dimethyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 58779642
(5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione
CID 17024892
(3Z)-3-(1H-imidazol-5-ylmethylidene)-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 177373730

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of (3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 94468993) is (3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for (3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for (3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is Cn1cc(/C=C2/C(=O)Nc3ccc(S(N)(=O)=O)cc32)cn1.
What is the InChIKey of (3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is QEKJWOKGCNMZQP-NYYWCZLTSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-17-7-8(6-15-17)4-11-10-5-9(21(14,19)20)2-3-12(10)16-13(11)18/h2-7H,1H3,(H,16,18)(H2,14,19,20)/b11-4+.
What are the key properties of (3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
(3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 94468993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).