2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide

C14H15N3O6S — CID 133347045

IUPAC2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCOC(c2ccco2)C1
InChIInChI=1S/C14H15N3O6S/c15-24(20,21)14-8-10(17(18)19)3-4-11(14)16-5-7-23-13(9-16)12-2-1-6-22-12/h1-4,6,8,13H,5,7,9H2,(H2,15,20,21)
InChIKeyUNQZDMOHRRNYHW-UHFFFAOYSA-N
MW353.36 g/mol
LogP1.41
Rot. Bonds4

About 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide

2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide (PubChem CID 133347045) has the molecular formula C14H15N3O6S and a molecular weight of 353.36 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide
PubChem CID133347045
Molecular FormulaC14H15N3O6S
Molecular Weight353.36 g/mol
Exact Mass353.07
IUPAC Name2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCOC(c2ccco2)C1
InChIInChI=1S/C14H15N3O6S/c15-24(20,21)14-8-10(17(18)19)3-4-11(14)16-5-7-23-13(9-16)12-2-1-6-22-12/h1-4,6,8,13H,5,7,9H2,(H2,15,20,21)
InChIKeyUNQZDMOHRRNYHW-UHFFFAOYSA-N
XLogP1.41
TPSA128.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine
CID 133414362
4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide
CID 133347277
4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide
CID 133347046
2-(2,6-dimethylmorpholin-4-yl)-5-nitrobenzenesulfonamide
CID 78782987
2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide
CID 133347183
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitrobenzenesulfonamide
CID 75370861
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrobenzenesulfonamide
CID 51072549
ethyl 3-fluoro-2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzoate
CID 133347272
2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
CID 133347026
5-nitro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzenesulfonamide
CID 133413237
4-(2,4-dinitrophenyl)-2-thiophen-2-ylmorpholine
CID 133363496
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-nitrobenzenesulfonamide
CID 26040101

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide?
The IUPAC name of 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide (CID 133347045) is 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide is NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCOC(c2ccco2)C1.
What is the InChIKey of 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide?
The InChIKey is UNQZDMOHRRNYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6S/c15-24(20,21)14-8-10(17(18)19)3-4-11(14)16-5-7-23-13(9-16)12-2-1-6-22-12/h1-4,6,8,13H,5,7,9H2,(H2,15,20,21).
What are the key properties of 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide?
2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide has a molecular weight of 353.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide is sourced from PubChem (CID 133347045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).