(aminodiazenyl)sulfonylurea

CH5N5O3S — CID 123809152

IUPAC(aminodiazenyl)sulfonylurea
SMILESNN=NS(=O)(=O)NC(N)=O
InChIInChI=1S/CH5N5O3S/c2-1(7)4-10(8,9)6-5-3/h(H2,3,6)(H3,2,4,7)
InChIKeyJGPNMXZVJGSSPD-UHFFFAOYSA-N
MW167.15 g/mol
LogP-1.77
Rot. Bonds2

About (aminodiazenyl)sulfonylurea

(aminodiazenyl)sulfonylurea (PubChem CID 123809152) has the molecular formula CH5N5O3S and a molecular weight of 167.15 g/mol. Its IUPAC name is (aminodiazenyl)sulfonylurea.

Molecular Properties

Compound Name(aminodiazenyl)sulfonylurea
PubChem CID123809152
Molecular FormulaCH5N5O3S
Molecular Weight167.15 g/mol
Exact Mass167.01
IUPAC Name(aminodiazenyl)sulfonylurea
SMILESNN=NS(=O)(=O)NC(N)=O
InChIInChI=1S/CH5N5O3S/c2-1(7)4-10(8,9)6-5-3/h(H2,3,6)(H3,2,4,7)
InChIKeyJGPNMXZVJGSSPD-UHFFFAOYSA-N
XLogP-1.77
TPSA140.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(sulfonylamino)sulfonylurea
CID 150349786
sulfamoylsulfonylurea
CID 54118048
hydroxyurea;sulfuric acid
CID 170163620
2,2,2-trichloroethylsulfonylurea
CID 154279468
CID 174966153
CID 174966153
1H-imidazol-2-ylsulfonylurea
CID 54457951
lithium urea
CID 22107644
pyrimidin-5-ylsulfonylurea
CID 19091292
bis(carbamothioic S-acid);copper;sulfuric acid
CID 173391644
lithium;bromourea;bromide
CID 175098948
amino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane
CID 146346957
(4-methylphenyl)sulfonylurea;urea
CID 160676948

Frequently Asked Questions

What is the IUPAC name of (aminodiazenyl)sulfonylurea?
The IUPAC name of (aminodiazenyl)sulfonylurea (CID 123809152) is (aminodiazenyl)sulfonylurea.
What is the SMILES notation for (aminodiazenyl)sulfonylurea?
The canonical SMILES for (aminodiazenyl)sulfonylurea is NN=NS(=O)(=O)NC(N)=O.
What is the InChIKey of (aminodiazenyl)sulfonylurea?
The InChIKey is JGPNMXZVJGSSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N5O3S/c2-1(7)4-10(8,9)6-5-3/h(H2,3,6)(H3,2,4,7).
What are the key properties of (aminodiazenyl)sulfonylurea?
(aminodiazenyl)sulfonylurea has a molecular weight of 167.15 g/mol, XLogP of -1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (aminodiazenyl)sulfonylurea is sourced from PubChem (CID 123809152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).