1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole

C19H20N4O6S — CID 133455723

IUPAC1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole
SMILESO=[N+]([O-])c1ccc(N2CCCC(S(=O)(=O)N3CCc4ccccc43)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H20N4O6S/c24-22(25)15-7-8-18(19(12-15)23(26)27)20-10-3-5-16(13-20)30(28,29)21-11-9-14-4-1-2-6-17(14)21/h1-2,4,6-8,12,16H,3,5,9-11,13H2
InChIKeyLUZZAPQERYVNJW-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.86
Rot. Bonds5

About 1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole

1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole (PubChem CID 133455723) has the molecular formula C19H20N4O6S and a molecular weight of 432.46 g/mol. Its IUPAC name is 1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole
PubChem CID133455723
Molecular FormulaC19H20N4O6S
Molecular Weight432.46 g/mol
Exact Mass432.11
IUPAC Name1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole
SMILESO=[N+]([O-])c1ccc(N2CCCC(S(=O)(=O)N3CCc4ccccc43)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H20N4O6S/c24-22(25)15-7-8-18(19(12-15)23(26)27)20-10-3-5-16(13-20)30(28,29)21-11-9-14-4-1-2-6-17(14)21/h1-2,4,6-8,12,16H,3,5,9-11,13H2
InChIKeyLUZZAPQERYVNJW-UHFFFAOYSA-N
XLogP2.86
TPSA126.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole
CID 91650455
1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole
CID 2952438
1-(2,4-dinitrophenyl)azepane
CID 2731658
1-(2,4-dinitrophenyl)azocane
CID 9311675
1-cyclohexylsulfonyl-7-nitro-3,4-dihydro-2H-quinoline
CID 122630596
2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole
CID 133455687
5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133455740
1-(2,4-dinitrophenyl)-N-methylpyrrolidin-3-amine
CID 115300843
(2R)-4-(2,4-dinitrophenyl)-2-methyl-1-(3-nitrophenyl)sulfonylpiperazine
CID 98095293
1-(2,4-dinitrophenyl)-N,N-diethylpiperidine-3-carboxamide
CID 3124720
1-methylsulfonyl-5-nitro-2,3-dihydroindole
CID 2918213
4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline
CID 133455730

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole (CID 133455723) is 1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole is O=[N+]([O-])c1ccc(N2CCCC(S(=O)(=O)N3CCc4ccccc43)C2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole?
The InChIKey is LUZZAPQERYVNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O6S/c24-22(25)15-7-8-18(19(12-15)23(26)27)20-10-3-5-16(13-20)30(28,29)21-11-9-14-4-1-2-6-17(14)21/h1-2,4,6-8,12,16H,3,5,9-11,13H2.
What are the key properties of 1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole?
1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole has a molecular weight of 432.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 133455723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).