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'}

Analyze 2-(2-amino-4-cyanophenyl)sulfonylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-cyano-N,N-bis(2-cyanoethyl)benzenesulfonamide
CID 64898482
2-(2-cyanophenyl)sulfonylguanidine
CID 172732874
2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 64900206
2-amino-N-butyl-4-cyano-N-ethylbenzenesulfonamide
CID 64899980
2-amino-4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79382438
2-amino-4-cyano-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102990961
2-amino-4-cyano-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115357947
2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 64899773
2-amino-4-cyano-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 64900207
3-amino-4-(3-hydroxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 102955115
2-amino-4-cyano-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 64900444
2-amino-4-cyano-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596269

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).