(3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide

C23H20N2O4S — CID 25181820

IUPAC(3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide
SMILESCOc1ccccc1/C=C1/C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc21
InChIInChI=1S/C23H20N2O4S/c1-15-6-5-8-17(12-15)25-30(27,28)18-10-11-21-19(14-18)20(23(26)24-21)13-16-7-3-4-9-22(16)29-2/h3-14,25H,1-2H3,(H,24,26)/b20-13+
InChIKeyWHEKGQNWKHSGSQ-DEDYPNTBSA-N
MW420.49 g/mol
LogP4.30
Rot. Bonds5

About (3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide

(3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide (PubChem CID 25181820) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is (3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide
PubChem CID25181820
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name(3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide
SMILESCOc1ccccc1/C=C1/C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc21
InChIInChI=1S/C23H20N2O4S/c1-15-6-5-8-17(12-15)25-30(27,28)18-10-11-21-19(14-18)20(23(26)24-21)13-16-7-3-4-9-22(16)29-2/h3-14,25H,1-2H3,(H,24,26)/b20-13+
InChIKeyWHEKGQNWKHSGSQ-DEDYPNTBSA-N
XLogP4.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E)-N-(3-methylphenyl)-2-oxo-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide
CID 25182217
(3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide
CID 89263089
5-bromo-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 5147801
3-[[4-(dimethylamino)-2-methoxyphenyl]methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57044958
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
3-[(2-fluorophenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57305075
2-oxo-N-[4-(trifluoromethyl)phenyl]-3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indole-5-sulfonamide
CID 57127499
2-oxo-N-[4-(trifluoromethyl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indole-5-sulfonamide
CID 57294666
5-(2-chloroethyl)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 56997589
N-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide
CID 91285817
3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 19109258
(3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 60512254

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of (3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide (CID 25181820) is (3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for (3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for (3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide is COc1ccccc1/C=C1/C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc21.
What is the InChIKey of (3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is WHEKGQNWKHSGSQ-DEDYPNTBSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-15-6-5-8-17(12-15)25-30(27,28)18-10-11-21-19(14-18)20(23(26)24-21)13-16-7-3-4-9-22(16)29-2/h3-14,25H,1-2H3,(H,24,26)/b20-13+.
What are the key properties of (3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide?
(3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 420.49 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 25181820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).