4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide

C15H17N3O6S — CID 133347277

IUPAC4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCOC(c3ccco3)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O6S/c1-16-25(21,22)11-4-5-12(13(9-11)18(19)20)17-6-8-24-15(10-17)14-3-2-7-23-14/h2-5,7,9,15-16H,6,8,10H2,1H3
InChIKeyNVYIKGXXYKAGDN-UHFFFAOYSA-N
MW367.38 g/mol
LogP1.67
Rot. Bonds5

About 4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide

4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide (PubChem CID 133347277) has the molecular formula C15H17N3O6S and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide
PubChem CID133347277
Molecular FormulaC15H17N3O6S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC Name4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCOC(c3ccco3)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O6S/c1-16-25(21,22)11-4-5-12(13(9-11)18(19)20)17-6-8-24-15(10-17)14-3-2-7-23-14/h2-5,7,9,15-16H,6,8,10H2,1H3
InChIKeyNVYIKGXXYKAGDN-UHFFFAOYSA-N
XLogP1.67
TPSA114.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide
CID 133347046
6-[2-(furan-2-yl)morpholin-4-yl]-N-methylpyridine-3-sulfonamide
CID 133347305
2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine
CID 133414362
2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide
CID 133347045
1-[4-(methylsulfamoyl)-2-nitrophenyl]pyrrolidine-3-carboxylic acid
CID 120964052
2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
CID 133347026
4-(4-fluoropiperidin-1-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 67992994
N-methyl-4-(4-methylpiperidin-1-yl)-3-nitrobenzenesulfonamide
CID 9283312
4-(3-anilinopiperidin-1-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 133363179
4-(4-acetylpiperazin-1-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 9279383
N-methyl-3-nitro-4-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide
CID 133413254
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methyl-3-nitrobenzenesulfonamide
CID 133406415

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide?
The IUPAC name of 4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide (CID 133347277) is 4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCOC(c3ccco3)C2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide?
The InChIKey is NVYIKGXXYKAGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6S/c1-16-25(21,22)11-4-5-12(13(9-11)18(19)20)17-6-8-24-15(10-17)14-3-2-7-23-14/h2-5,7,9,15-16H,6,8,10H2,1H3.
What are the key properties of 4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide?
4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide has a molecular weight of 367.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 133347277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).