5-Methoxy-N-[(5-Methylpyridin-2-Yl)sulfonyl]-1h-Indole-2-Carboxamide
PubChem CID: 44229000
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| Compound Synonyms | CHEMBL1232723, 5-Methoxy-N-[(5-Methylpyridin-2-Yl)sulfonyl]-1h-Indole-2-Carboxamide, 3iub, BDBM50400277, Q27460281, FG2 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC(CC(C)(C)C1CCCCC1)C1CC2CCCCC2C1 |
| Np Classifier Class | Carboline alkaloids |
| Deep Smiles | COcccccc6)cc[nH]5)C=O)NS=O)=O)cccccn6))C |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | OC(NS(O)(O)C1CCCCN1)C1CC2CCCCC2N1 |
| Classyfire Subclass | Indolecarboxylic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 562.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-N-(5-methylpyridin-2-yl)sulfonyl-1H-indole-2-carboxamide |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H15N3O4S |
| Scaffold Graph Node Bond Level | O=C(NS(=O)(=O)c1ccccn1)c1cc2ccccc2[nH]1 |
| Inchi Key | ZKUFSBNJBIOKLO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | fg2 |
| Esol Class | Soluble |
| Functional Groups | cC(=O)NS(c)(=O)=O, cOC, c[nH]c, cnc |
| Compound Name | 5-Methoxy-N-[(5-Methylpyridin-2-Yl)sulfonyl]-1h-Indole-2-Carboxamide |
| Exact Mass | 345.078 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 345.078 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 345.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H15N3O4S/c1-10-3-6-15(17-9-10)24(21,22)19-16(20)14-8-11-7-12(23-2)4-5-13(11)18-14/h3-9,18H,1-2H3,(H,19,20) |
| Smiles | CC1=CN=C(C=C1)S(=O)(=O)NC(=O)C2=CC3=C(N2)C=CC(=C3)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
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