N-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide

C19H21N3O3S — CID 153440412

IUPACN-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)C(=Cc1ccc(N(C)C)cc1)C(=O)N2
InChIInChI=1S/C19H21N3O3S/c1-4-26(24,25)21-14-7-10-18-16(12-14)17(19(23)20-18)11-13-5-8-15(9-6-13)22(2)3/h5-12,21H,4H2,1-3H3,(H,20,23)
InChIKeyNLZUMCKQMAFUOJ-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.01
Rot. Bonds5

About N-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide

N-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide (PubChem CID 153440412) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide
PubChem CID153440412
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)C(=Cc1ccc(N(C)C)cc1)C(=O)N2
InChIInChI=1S/C19H21N3O3S/c1-4-26(24,25)21-14-7-10-18-16(12-14)17(19(23)20-18)11-13-5-8-15(9-6-13)22(2)3/h5-12,21H,4H2,1-3H3,(H,20,23)
InChIKeyNLZUMCKQMAFUOJ-UHFFFAOYSA-N
XLogP3.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide?
The IUPAC name of N-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide (CID 153440412) is N-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide.
What is the SMILES notation for N-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide?
The canonical SMILES for N-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc2c(c1)C(=Cc1ccc(N(C)C)cc1)C(=O)N2.
What is the InChIKey of N-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide?
The InChIKey is NLZUMCKQMAFUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-26(24,25)21-14-7-10-18-16(12-14)17(19(23)20-18)11-13-5-8-15(9-6-13)22(2)3/h5-12,21H,4H2,1-3H3,(H,20,23).
What are the key properties of N-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide?
N-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide is sourced from PubChem (CID 153440412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).