N-[(6-methoxy-1-methylindol-2-yl)methylidene]-4-methylbenzenesulfonamide

C18H18N2O3S — CID 42628290

IUPACN-[(6-methoxy-1-methylindol-2-yl)methylidene]-4-methylbenzenesulfonamide
SMILESCOc1ccc2cc(C=NS(=O)(=O)c3ccc(C)cc3)n(C)c2c1
InChIInChI=1S/C18H18N2O3S/c1-13-4-8-17(9-5-13)24(21,22)19-12-15-10-14-6-7-16(23-3)11-18(14)20(15)2/h4-12H,1-3H3
InChIKeyCLWACLXHHXQFQL-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.30
Rot. Bonds4

About N-[(6-methoxy-1-methylindol-2-yl)methylidene]-4-methylbenzenesulfonamide

N-[(6-methoxy-1-methylindol-2-yl)methylidene]-4-methylbenzenesulfonamide (PubChem CID 42628290) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(6-methoxy-1-methylindol-2-yl)methylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(6-methoxy-1-methylindol-2-yl)methylidene]-4-methylbenzenesulfonamide
PubChem CID42628290
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[(6-methoxy-1-methylindol-2-yl)methylidene]-4-methylbenzenesulfonamide
SMILESCOc1ccc2cc(C=NS(=O)(=O)c3ccc(C)cc3)n(C)c2c1
InChIInChI=1S/C18H18N2O3S/c1-13-4-8-17(9-5-13)24(21,22)19-12-15-10-14-6-7-16(23-3)11-18(14)20(15)2/h4-12H,1-3H3
InChIKeyCLWACLXHHXQFQL-UHFFFAOYSA-N
XLogP3.30
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1-methylindol-2-yl)methylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(6-methoxy-1-methylindol-2-yl)methylidene]-4-methylbenzenesulfonamide (CID 42628290) is N-[(6-methoxy-1-methylindol-2-yl)methylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(6-methoxy-1-methylindol-2-yl)methylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(6-methoxy-1-methylindol-2-yl)methylidene]-4-methylbenzenesulfonamide is COc1ccc2cc(C=NS(=O)(=O)c3ccc(C)cc3)n(C)c2c1.
What is the InChIKey of N-[(6-methoxy-1-methylindol-2-yl)methylidene]-4-methylbenzenesulfonamide?
The InChIKey is CLWACLXHHXQFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-4-8-17(9-5-13)24(21,22)19-12-15-10-14-6-7-16(23-3)11-18(14)20(15)2/h4-12H,1-3H3.
What are the key properties of N-[(6-methoxy-1-methylindol-2-yl)methylidene]-4-methylbenzenesulfonamide?
N-[(6-methoxy-1-methylindol-2-yl)methylidene]-4-methylbenzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1-methylindol-2-yl)methylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 42628290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).