4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine

C15H15N3O6S — CID 18199953

IUPAC4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine
SMILESO=[N+]([O-])c1ccccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C15H15N3O6S/c19-18(20)13-3-1-2-4-14(13)24-15-6-5-12(11-16-15)25(21,22)17-7-9-23-10-8-17/h1-6,11H,7-10H2
InChIKeyTYWCAGMSWPXSQU-UHFFFAOYSA-N
MW365.37 g/mol
LogP1.80
Rot. Bonds5

About 4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine

4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine (PubChem CID 18199953) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is 4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine
PubChem CID18199953
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC Name4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine
SMILESO=[N+]([O-])c1ccccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C15H15N3O6S/c19-18(20)13-3-1-2-4-14(13)24-15-6-5-12(11-16-15)25(21,22)17-7-9-23-10-8-17/h1-6,11H,7-10H2
InChIKeyTYWCAGMSWPXSQU-UHFFFAOYSA-N
XLogP1.80
TPSA111.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
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-nitrophenyl)sulfonylmorpholine
CID 796972
4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24979086
4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine
CID 9280495
4-morpholin-4-ylsulfonyl-2-nitrophenolate
CID 7062823
2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine
CID 2538848
1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone
CID 4849455
4-[3-nitro-4-(3-phenylpropoxy)phenyl]sulfonylmorpholine
CID 7290604
[4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone
CID 3419946
4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine
CID 71903877
5-morpholin-4-ylsulfonylpyridine-2-thiolate
CID 7063956
4-(3-chloro-4-nitrophenyl)sulfonylmorpholine
CID 2380547
N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 26448882

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine (CID 18199953) is 4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine is O=[N+]([O-])c1ccccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of 4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is TYWCAGMSWPXSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S/c19-18(20)13-3-1-2-4-14(13)24-15-6-5-12(11-16-15)25(21,22)17-7-9-23-10-8-17/h1-6,11H,7-10H2.
What are the key properties of 4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine?
4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 365.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 18199953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).