N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate

C12H15N4O4S- — CID 1235130

IUPACN-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate
SMILESCC([O-])=NS(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1
InChIInChI=1S/C12H16N4O4S/c1-10(17)14-21(18,19)12-4-2-11(3-5-12)13-15-16-6-8-20-9-7-16/h2-5H,6-9H2,1H3,(H,14,17)/p-1/b15-13+
InChIKeySDBNAWOKRQYNRZ-FYWRMAATSA-M
MW311.34 g/mol
LogP0.48
Rot. Bonds4

About N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate

N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate (PubChem CID 1235130) has the molecular formula C12H15N4O4S- and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate.

Molecular Properties

Compound NameN-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate
PubChem CID1235130
Molecular FormulaC12H15N4O4S-
Molecular Weight311.34 g/mol
Exact Mass311.08
IUPAC NameN-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate
SMILESCC([O-])=NS(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1
InChIInChI=1S/C12H16N4O4S/c1-10(17)14-21(18,19)12-4-2-11(3-5-12)13-15-16-6-8-20-9-7-16/h2-5H,6-9H2,1H3,(H,14,17)/p-1/b15-13+
InChIKeySDBNAWOKRQYNRZ-FYWRMAATSA-M
XLogP0.48
TPSA106.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[4-[[4-(1-oxidoethylideneamino)sulfonylphenyl]diazenyl]piperazin-1-yl]diazenyl]phenyl]sulfonylethanimidate
CID 4123143
potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid
CID 126467905
ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene
CID 157260661
N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide
CID 25047791
4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide
CID 175091863
3-[4-(morpholin-4-yldiazenyl)phenoxy]propan-1-ol
CID 102354378
methyl 4-[[4-(4-acetylphenyl)piperazin-1-yl]diazenyl]benzoate
CID 71258470
4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
CID 2350134
2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide
CID 17388729
(NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
CID 6019249
ethyl 4-(pyrrolidin-1-yldiazenyl)benzoate
CID 139203232
(NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide
CID 167439578

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate?
The IUPAC name of N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate (CID 1235130) is N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate.
What is the SMILES notation for N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate?
The canonical SMILES for N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate is CC([O-])=NS(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1.
What is the InChIKey of N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate?
The InChIKey is SDBNAWOKRQYNRZ-FYWRMAATSA-M. The full InChI is InChI=1S/C12H16N4O4S/c1-10(17)14-21(18,19)12-4-2-11(3-5-12)13-15-16-6-8-20-9-7-16/h2-5H,6-9H2,1H3,(H,14,17)/p-1/b15-13+.
What are the key properties of N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate?
N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate has a molecular weight of 311.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate is sourced from PubChem (CID 1235130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).