[4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone

C23H20N2O7S — CID 3419946

IUPAC[4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C23H20N2O7S/c26-23(17-4-2-1-3-5-17)18-6-8-19(9-7-18)32-22-11-10-20(16-21(22)25(27)28)33(29,30)24-12-14-31-15-13-24/h1-11,16H,12-15H2
InChIKeyMUIJMRHRMCGIGM-UHFFFAOYSA-N
MW468.49 g/mol
LogP3.64
Rot. Bonds7

About [4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone

[4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone (PubChem CID 3419946) has the molecular formula C23H20N2O7S and a molecular weight of 468.49 g/mol. Its IUPAC name is [4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone
PubChem CID3419946
Molecular FormulaC23H20N2O7S
Molecular Weight468.49 g/mol
Exact Mass468.10
IUPAC Name[4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C23H20N2O7S/c26-23(17-4-2-1-3-5-17)18-6-8-19(9-7-18)32-22-11-10-20(16-21(22)25(27)28)33(29,30)24-12-14-31-15-13-24/h1-11,16H,12-15H2
InChIKeyMUIJMRHRMCGIGM-UHFFFAOYSA-N
XLogP3.64
TPSA116.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 53.64
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-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine
CID 9280495
4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine
CID 71903877
4-[4-(2,3-dihydro-1H-inden-5-yloxy)-3-nitrophenyl]sulfonylmorpholine
CID 4789878
2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetic acid
CID 16771112
(3-nitro-4-phenoxyphenyl)-phenylmethanone
CID 3531975
1-[3-nitro-4-(3-phenoxyphenoxy)phenyl]sulfonylpiperidine
CID 3655786
4-[3-nitro-4-(3-phenylpropoxy)phenyl]sulfonylmorpholine
CID 7290604
4-[4-(2,5-dimethylphenoxy)-3-nitrophenyl]sulfonylmorpholine
CID 4261071
1-methyl-4-[4-(4-methylphenoxy)-3-nitrophenyl]sulfonylpiperazin-1-ium
CID 7860496
4-(3-nitro-4-phenylsulfanylphenyl)sulfonylmorpholine
CID 4811406
1-[4-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)phenyl]piperazin-1-yl]ethanone
CID 4787195
2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-N-(phenylcarbamoyl)propanamide
CID 24567263

Frequently Asked Questions

What is the IUPAC name of [4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone?
The IUPAC name of [4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone (CID 3419946) is [4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone?
The canonical SMILES for [4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1.
What is the InChIKey of [4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone?
The InChIKey is MUIJMRHRMCGIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O7S/c26-23(17-4-2-1-3-5-17)18-6-8-19(9-7-18)32-22-11-10-20(16-21(22)25(27)28)33(29,30)24-12-14-31-15-13-24/h1-11,16H,12-15H2.
What are the key properties of [4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone?
[4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone has a molecular weight of 468.49 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 3419946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).