3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide

C19H21N3O6S — CID 46521653

IUPAC3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC(C)O1
InChIInChI=1S/C19H21N3O6S/c1-13-11-21(12-14(2)28-13)29(26,27)18-8-3-5-15(9-18)19(23)20-16-6-4-7-17(10-16)22(24)25/h3-10,13-14H,11-12H2,1-2H3,(H,20,23)
InChIKeyNGXHKCOXHVXWAI-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.64
Rot. Bonds5

About 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide (PubChem CID 46521653) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide
PubChem CID46521653
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC(C)O1
InChIInChI=1S/C19H21N3O6S/c1-13-11-21(12-14(2)28-13)29(26,27)18-8-3-5-15(9-18)19(23)20-16-6-4-7-17(10-16)22(24)25/h3-10,13-14H,11-12H2,1-2H3,(H,20,23)
InChIKeyNGXHKCOXHVXWAI-UHFFFAOYSA-N
XLogP2.64
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide
CID 55347661
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-fluoro-3-nitrophenyl)benzamide
CID 46520259
N-(3-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40896256
N-(3-cyanophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55329273
N-(4-acetylphenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40790972
N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 17432441
N-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26087542
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 51960229
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 51960227
N-(4-bromo-3-methylphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 41152859
N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 42905906
3-nitro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759828

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide (CID 46521653) is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide?
The InChIKey is NGXHKCOXHVXWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-13-11-21(12-14(2)28-13)29(26,27)18-8-3-5-15(9-18)19(23)20-16-6-4-7-17(10-16)22(24)25/h3-10,13-14H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide?
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide has a molecular weight of 419.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 46521653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).