2-(2-cyanophenyl)sulfonylguanidine

C8H8N4O2S — CID 172732874

IUPAC2-(2-cyanophenyl)sulfonylguanidine
SMILESN#Cc1ccccc1S(=O)(=O)N=C(N)N
InChIInChI=1S/C8H8N4O2S/c9-5-6-3-1-2-4-7(6)15(13,14)12-8(10)11/h1-4H,(H4,10,11,12)
InChIKeyIAMMREYQXAQMDA-UHFFFAOYSA-N
MW224.25 g/mol
LogP-0.48
Rot. Bonds2

About 2-(2-cyanophenyl)sulfonylguanidine

2-(2-cyanophenyl)sulfonylguanidine (PubChem CID 172732874) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfonylguanidine.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfonylguanidine
PubChem CID172732874
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC Name2-(2-cyanophenyl)sulfonylguanidine
SMILESN#Cc1ccccc1S(=O)(=O)N=C(N)N
InChIInChI=1S/C8H8N4O2S/c9-5-6-3-1-2-4-7(6)15(13,14)12-8(10)11/h1-4H,(H4,10,11,12)
InChIKeyIAMMREYQXAQMDA-UHFFFAOYSA-N
XLogP-0.48
TPSA122.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyanophenyl)sulfonylbenzonitrile
CID 18934243
2-(2-amino-4-cyanophenyl)sulfonylguanidine
CID 116646270
2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid
CID 63646594
8-cyanonaphthalene-1-sulfonate
CID 4578291
N'-amino-2-cyanobenzenecarboximidamide
CID 66986698
N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide
CID 129263111
2-(2,2-difluoroethylsulfonyl)benzonitrile
CID 84694361
[4-(2-cyanophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-(diethylamino)methanolate
CID 2543584
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile
CID 43096470
2-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4846784
2-cyano-N-cyclopropylbenzenesulfonamide
CID 7320664

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfonylguanidine?
The IUPAC name of 2-(2-cyanophenyl)sulfonylguanidine (CID 172732874) is 2-(2-cyanophenyl)sulfonylguanidine.
What is the SMILES notation for 2-(2-cyanophenyl)sulfonylguanidine?
The canonical SMILES for 2-(2-cyanophenyl)sulfonylguanidine is N#Cc1ccccc1S(=O)(=O)N=C(N)N.
What is the InChIKey of 2-(2-cyanophenyl)sulfonylguanidine?
The InChIKey is IAMMREYQXAQMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c9-5-6-3-1-2-4-7(6)15(13,14)12-8(10)11/h1-4H,(H4,10,11,12).
What are the key properties of 2-(2-cyanophenyl)sulfonylguanidine?
2-(2-cyanophenyl)sulfonylguanidine has a molecular weight of 224.25 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfonylguanidine is sourced from PubChem (CID 172732874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).