5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide

C18H19N3O5S — CID 133413237

IUPAC5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCOC2(CCc3ccccc32)C1
InChIInChI=1S/C18H19N3O5S/c19-27(24,25)17-11-14(21(22)23)5-6-16(17)20-9-10-26-18(12-20)8-7-13-3-1-2-4-15(13)18/h1-6,11H,7-10,12H2,(H2,19,24,25)
InChIKeySEOIJCDHVYKFQM-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.92
Rot. Bonds3

About 5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide

5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide (PubChem CID 133413237) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide
PubChem CID133413237
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCOC2(CCc3ccccc32)C1
InChIInChI=1S/C18H19N3O5S/c19-27(24,25)17-11-14(21(22)23)5-6-16(17)20-9-10-26-18(12-20)8-7-13-3-1-2-4-15(13)18/h1-6,11H,7-10,12H2,(H2,19,24,25)
InChIKeySEOIJCDHVYKFQM-UHFFFAOYSA-N
XLogP1.92
TPSA115.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide 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

4'-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413392
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrobenzenesulfonamide
CID 51072549
N-methyl-3-nitro-4-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide
CID 133413254
5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile
CID 133413282
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-nitrobenzenesulfonamide
CID 26040101
2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide
CID 133347045
2-(2,6-dimethylmorpholin-4-yl)-5-nitrobenzenesulfonamide
CID 78782987
2-(6-azaspiro[3.4]octan-6-yl)-4-nitrobenzenesulfonamide
CID 84599399
2-[(3R)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl]-5-sulfamoylbenzoic acid
CID 164639782
2-(2,3-dimethylpyrrolidin-1-yl)-5-nitrobenzenesulfonamide
CID 133357624
2-[4-(1H-indol-3-yl)piperidin-1-yl]-5-nitrobenzenesulfonamide
CID 134045208
6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile
CID 133413419

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide?
The IUPAC name of 5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide (CID 133413237) is 5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide.
What is the SMILES notation for 5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide?
The canonical SMILES for 5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide is NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCOC2(CCc3ccccc32)C1.
What is the InChIKey of 5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide?
The InChIKey is SEOIJCDHVYKFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c19-27(24,25)17-11-14(21(22)23)5-6-16(17)20-9-10-26-18(12-20)8-7-13-3-1-2-4-15(13)18/h1-6,11H,7-10,12H2,(H2,19,24,25).
What are the key properties of 5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide?
5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide has a molecular weight of 389.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide is sourced from PubChem (CID 133413237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).