5-amino-4-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1,2-dihydropyrazol-3-one

C13H16N6O4S — CID 135524898

IUPAC5-amino-4-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1,2-dihydropyrazol-3-one
SMILESNc1[nH][nH]c(=O)c1/N=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H16N6O4S/c14-12-11(13(20)18-17-12)16-15-9-1-3-10(4-2-9)24(21,22)19-5-7-23-8-6-19/h1-4H,5-8H2,(H4,14,17,18,20)/b16-15+
InChIKeyVBVIUFSZOUBBLF-FOCLMDBBSA-N
MW352.38 g/mol
LogP0.72
Rot. Bonds4

About 5-amino-4-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1,2-dihydropyrazol-3-one

5-amino-4-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1,2-dihydropyrazol-3-one (PubChem CID 135524898) has the molecular formula C13H16N6O4S and a molecular weight of 352.38 g/mol. Its IUPAC name is 5-amino-4-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-amino-4-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1,2-dihydropyrazol-3-one
PubChem CID135524898
Molecular FormulaC13H16N6O4S
Molecular Weight352.38 g/mol
Exact Mass352.10
IUPAC Name5-amino-4-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1,2-dihydropyrazol-3-one
SMILESNc1[nH][nH]c(=O)c1/N=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H16N6O4S/c14-12-11(13(20)18-17-12)16-15-9-1-3-10(4-2-9)24(21,22)19-5-7-23-8-6-19/h1-4H,5-8H2,(H4,14,17,18,20)/b16-15+
InChIKeyVBVIUFSZOUBBLF-FOCLMDBBSA-N
XLogP0.72
TPSA146.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 1101145
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CID 968608
N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine
CID 4105745
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol
CID 4537341
4-(4-methylsulfanylphenyl)sulfonylmorpholine
CID 967774
4-(4-ethenylphenyl)sulfonylmorpholine
CID 175115555
2-bromo-5-morpholin-4-ylsulfonylaniline
CID 115328547
2-bromo-4-morpholin-4-ylsulfonylaniline
CID 54850283
4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride
CID 119981794
5-amino-4-[(2,6-dichlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 1494874
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-amino-4-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1,2-dihydropyrazol-3-one (CID 135524898) is 5-amino-4-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-amino-4-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-amino-4-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1,2-dihydropyrazol-3-one is Nc1[nH][nH]c(=O)c1/N=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 5-amino-4-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The InChIKey is VBVIUFSZOUBBLF-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H16N6O4S/c14-12-11(13(20)18-17-12)16-15-9-1-3-10(4-2-9)24(21,22)19-5-7-23-8-6-19/h1-4H,5-8H2,(H4,14,17,18,20)/b16-15+.
What are the key properties of 5-amino-4-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1,2-dihydropyrazol-3-one?
5-amino-4-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1,2-dihydropyrazol-3-one has a molecular weight of 352.38 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135524898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).