1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole

C16H16N2O5S — CID 110287385

IUPAC1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C16H16N2O5S/c1-11-3-6-15(23-2)16(9-11)24(21,22)17-8-7-12-4-5-13(18(19)20)10-14(12)17/h3-6,9-10H,7-8H2,1-2H3
InChIKeyAIYZUNPPDDOREA-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.66
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole

1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole (PubChem CID 110287385) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole
PubChem CID110287385
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C16H16N2O5S/c1-11-3-6-15(23-2)16(9-11)24(21,22)17-8-7-12-4-5-13(18(19)20)10-14(12)17/h3-6,9-10H,7-8H2,1-2H3
InChIKeyAIYZUNPPDDOREA-UHFFFAOYSA-N
XLogP2.66
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-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-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole
CID 3852643
1-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline
CID 110291977
1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
CID 110315931
1-ethylsulfonyl-6-nitro-2,3-dihydroindole
CID 110287378
5-methoxy-1-(4-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole
CID 59442060
1-(3-methylphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline
CID 110291985
6-nitro-1-(4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole
CID 110287404
1-(2-methoxy-5-nitrophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 51263569
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
4-methoxy-1-(2-methoxy-5-methylphenyl)sulfonyl-2,3-dihydroindole-6-carboxamide
CID 141166293
1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3779020
1-(2-methoxy-5-methylphenyl)sulfonyl-1,4-diazepane-2,5-dione
CID 151664784

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole (CID 110287385) is 1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole is COc1ccc(C)cc1S(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole?
The InChIKey is AIYZUNPPDDOREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-11-3-6-15(23-2)16(9-11)24(21,22)17-8-7-12-4-5-13(18(19)20)10-14(12)17/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole?
1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole has a molecular weight of 348.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole is sourced from PubChem (CID 110287385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).