4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide

C20H19N3O6S — CID 133347046

IUPAC4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCOC(c2ccco2)C1
InChIInChI=1S/C20H19N3O6S/c24-23(25)18-13-16(30(26,27)21-15-5-2-1-3-6-15)8-9-17(18)22-10-12-29-20(14-22)19-7-4-11-28-19/h1-9,11,13,20-21H,10,12,14H2
InChIKeyJXOXKBIGSHCFDQ-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.57
Rot. Bonds6

About 4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide

4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide (PubChem CID 133347046) has the molecular formula C20H19N3O6S and a molecular weight of 429.45 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide
PubChem CID133347046
Molecular FormulaC20H19N3O6S
Molecular Weight429.45 g/mol
Exact Mass429.10
IUPAC Name4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCOC(c2ccco2)C1
InChIInChI=1S/C20H19N3O6S/c24-23(25)18-13-16(30(26,27)21-15-5-2-1-3-6-15)8-9-17(18)22-10-12-29-20(14-22)19-7-4-11-28-19/h1-9,11,13,20-21H,10,12,14H2
InChIKeyJXOXKBIGSHCFDQ-UHFFFAOYSA-N
XLogP3.57
TPSA114.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.57
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]-N-methyl-3-nitrobenzenesulfonamide
CID 133347277
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide
CID 9186405
2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide
CID 133347045
2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine
CID 133414362
4-(1,4-diazepan-1-yl)-3-nitro-N-phenylbenzenesulfonamide;hydrochloride
CID 22272566
4-(3-anilinopiperidin-1-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 133363179
2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
CID 133347026
2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine
CID 47983309
(2R)-2-ethyl-4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]morpholine
CID 36722781
N-(3-methoxyphenyl)-4-(3-methylpiperazin-1-yl)-3-nitrobenzenesulfonamide
CID 174436859
4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine
CID 133363741
1-[4-(methylsulfamoyl)-2-nitrophenyl]pyrrolidine-3-carboxylic acid
CID 120964052

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide?
The IUPAC name of 4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide (CID 133347046) is 4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCOC(c2ccco2)C1.
What is the InChIKey of 4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide?
The InChIKey is JXOXKBIGSHCFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6S/c24-23(25)18-13-16(30(26,27)21-15-5-2-1-3-6-15)8-9-17(18)22-10-12-29-20(14-22)19-7-4-11-28-19/h1-9,11,13,20-21H,10,12,14H2.
What are the key properties of 4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide?
4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide has a molecular weight of 429.45 g/mol, XLogP of 3.57, 6 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]-3-nitro-N-phenylbenzenesulfonamide is sourced from PubChem (CID 133347046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).