2-[4-[(3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]sulfonylguanidine

C10H11N7O4S — CID 171855258

IUPAC2-[4-[(3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(/N=N/C2C(=O)NNC2=O)cc1
InChIInChI=1S/C10H11N7O4S/c11-10(12)17-22(20,21)6-3-1-5(2-4-6)13-14-7-8(18)15-16-9(7)19/h1-4,7H,(H,15,18)(H,16,19)(H4,11,12,17)/b14-13+
InChIKeyDMQBJRUKKMQNRK-BUHFOSPRSA-N
MW325.31 g/mol
LogP-1.74
Rot. Bonds4

About 2-[4-[(3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]sulfonylguanidine

2-[4-[(3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]sulfonylguanidine (PubChem CID 171855258) has the molecular formula C10H11N7O4S and a molecular weight of 325.31 g/mol. Its IUPAC name is 2-[4-[(3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]sulfonylguanidine.

Molecular Properties

Compound Name2-[4-[(3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]sulfonylguanidine
PubChem CID171855258
Molecular FormulaC10H11N7O4S
Molecular Weight325.31 g/mol
Exact Mass325.06
IUPAC Name2-[4-[(3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(/N=N/C2C(=O)NNC2=O)cc1
InChIInChI=1S/C10H11N7O4S/c11-10(12)17-22(20,21)6-3-1-5(2-4-6)13-14-7-8(18)15-16-9(7)19/h1-4,7H,(H,15,18)(H,16,19)(H4,11,12,17)/b14-13+
InChIKeyDMQBJRUKKMQNRK-BUHFOSPRSA-N
XLogP-1.74
TPSA181.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]sulfonylguanidine?
The IUPAC name of 2-[4-[(3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]sulfonylguanidine (CID 171855258) is 2-[4-[(3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]sulfonylguanidine.
What is the SMILES notation for 2-[4-[(3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]sulfonylguanidine?
The canonical SMILES for 2-[4-[(3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]sulfonylguanidine is NC(N)=NS(=O)(=O)c1ccc(/N=N/C2C(=O)NNC2=O)cc1.
What is the InChIKey of 2-[4-[(3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]sulfonylguanidine?
The InChIKey is DMQBJRUKKMQNRK-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H11N7O4S/c11-10(12)17-22(20,21)6-3-1-5(2-4-6)13-14-7-8(18)15-16-9(7)19/h1-4,7H,(H,15,18)(H,16,19)(H4,11,12,17)/b14-13+.
What are the key properties of 2-[4-[(3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]sulfonylguanidine?
2-[4-[(3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]sulfonylguanidine has a molecular weight of 325.31 g/mol, XLogP of -1.74, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]sulfonylguanidine is sourced from PubChem (CID 171855258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).