(3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

C18H14N2O5S — CID 60512254

IUPAC(3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCOc1cccc2cc(/C=C3/C(=O)Nc4ccc(S(N)(=O)=O)cc43)oc12
InChIInChI=1S/C18H14N2O5S/c1-24-16-4-2-3-10-7-11(25-17(10)16)8-14-13-9-12(26(19,22)23)5-6-15(13)20-18(14)21/h2-9H,1H3,(H,20,21)(H2,19,22,23)/b14-8+
InChIKeyPVYGALVLEUZFGV-RIYZIHGNSA-N
MW370.39 g/mol
LogP2.58
Rot. Bonds3

About (3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

(3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 60512254) has the molecular formula C18H14N2O5S and a molecular weight of 370.39 g/mol. Its IUPAC name is (3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
PubChem CID60512254
Molecular FormulaC18H14N2O5S
Molecular Weight370.39 g/mol
Exact Mass370.06
IUPAC Name(3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCOc1cccc2cc(/C=C3/C(=O)Nc4ccc(S(N)(=O)=O)cc43)oc12
InChIInChI=1S/C18H14N2O5S/c1-24-16-4-2-3-10-7-11(25-17(10)16)8-14-13-9-12(26(19,22)23)5-6-15(13)20-18(14)21/h2-9H,1H3,(H,20,21)(H2,19,22,23)/b14-8+
InChIKeyPVYGALVLEUZFGV-RIYZIHGNSA-N
XLogP2.58
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.58
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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Related Compounds

(3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 94468994
(2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one
CID 75362159
(3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 94468993
5-bromo-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 5147801
3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 67114937
3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 57044028
(3E)-3-[(3-nitro-4-propan-2-ylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 60512255
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
(3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide
CID 89263089
(3E)-5-methoxy-3-[[3-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]methylidene]-1H-indol-2-one
CID 46887441
(5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17496364
2-oxo-N-[4-(trifluoromethyl)phenyl]-3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indole-5-sulfonamide
CID 57127499

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of (3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 60512254) is (3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for (3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for (3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is COc1cccc2cc(/C=C3/C(=O)Nc4ccc(S(N)(=O)=O)cc43)oc12.
What is the InChIKey of (3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is PVYGALVLEUZFGV-RIYZIHGNSA-N. The full InChI is InChI=1S/C18H14N2O5S/c1-24-16-4-2-3-10-7-11(25-17(10)16)8-14-13-9-12(26(19,22)23)5-6-15(13)20-18(14)21/h2-9H,1H3,(H,20,21)(H2,19,22,23)/b14-8+.
What are the key properties of (3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
(3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 370.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 60512254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).