2-(2-amino-4-cyanophenyl)sulfonylguanidine

C8H9N5O2S — CID 116646270

IUPAC2-(2-amino-4-cyanophenyl)sulfonylguanidine
SMILESN#Cc1ccc(S(=O)(=O)N=C(N)N)c(N)c1
InChIInChI=1S/C8H9N5O2S/c9-4-5-1-2-7(6(10)3-5)16(14,15)13-8(11)12/h1-3H,10H2,(H4,11,12,13)
InChIKeyALSIVCHXSJJXRQ-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.90
Rot. Bonds2

About 2-(2-amino-4-cyanophenyl)sulfonylguanidine

2-(2-amino-4-cyanophenyl)sulfonylguanidine (PubChem CID 116646270) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-(2-amino-4-cyanophenyl)sulfonylguanidine.

Molecular Properties

Compound Name2-(2-amino-4-cyanophenyl)sulfonylguanidine
PubChem CID116646270
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name2-(2-amino-4-cyanophenyl)sulfonylguanidine
SMILESN#Cc1ccc(S(=O)(=O)N=C(N)N)c(N)c1
InChIInChI=1S/C8H9N5O2S/c9-4-5-1-2-7(6(10)3-5)16(14,15)13-8(11)12/h1-3H,10H2,(H4,11,12,13)
InChIKeyALSIVCHXSJJXRQ-UHFFFAOYSA-N
XLogP-0.90
TPSA148.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-cyanophenyl)sulfonylguanidine?
The IUPAC name of 2-(2-amino-4-cyanophenyl)sulfonylguanidine (CID 116646270) is 2-(2-amino-4-cyanophenyl)sulfonylguanidine.
What is the SMILES notation for 2-(2-amino-4-cyanophenyl)sulfonylguanidine?
The canonical SMILES for 2-(2-amino-4-cyanophenyl)sulfonylguanidine is N#Cc1ccc(S(=O)(=O)N=C(N)N)c(N)c1.
What is the InChIKey of 2-(2-amino-4-cyanophenyl)sulfonylguanidine?
The InChIKey is ALSIVCHXSJJXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c9-4-5-1-2-7(6(10)3-5)16(14,15)13-8(11)12/h1-3H,10H2,(H4,11,12,13).
What are the key properties of 2-(2-amino-4-cyanophenyl)sulfonylguanidine?
2-(2-amino-4-cyanophenyl)sulfonylguanidine has a molecular weight of 239.26 g/mol, XLogP of -0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-cyanophenyl)sulfonylguanidine is sourced from PubChem (CID 116646270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).