2-(7-sulfamoylisoquinolin-1-yl)guanidine

C10H11N5O2S — CID 16658352

IUPAC2-(7-sulfamoylisoquinolin-1-yl)guanidine
SMILESNC(N)=Nc1nccc2ccc(S(N)(=O)=O)cc12
InChIInChI=1S/C10H11N5O2S/c11-10(12)15-9-8-5-7(18(13,16)17)2-1-6(8)3-4-14-9/h1-5H,(H2,13,16,17)(H4,11,12,14,15)
InChIKeyNRVVFOKWKSWIIV-UHFFFAOYSA-N
MW265.30 g/mol
LogP-0.21
Rot. Bonds2

About 2-(7-sulfamoylisoquinolin-1-yl)guanidine

2-(7-sulfamoylisoquinolin-1-yl)guanidine (PubChem CID 16658352) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-(7-sulfamoylisoquinolin-1-yl)guanidine.

Molecular Properties

Compound Name2-(7-sulfamoylisoquinolin-1-yl)guanidine
PubChem CID16658352
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name2-(7-sulfamoylisoquinolin-1-yl)guanidine
SMILESNC(N)=Nc1nccc2ccc(S(N)(=O)=O)cc12
InChIInChI=1S/C10H11N5O2S/c11-10(12)15-9-8-5-7(18(13,16)17)2-1-6(8)3-4-14-9/h1-5H,(H2,13,16,17)(H4,11,12,14,15)
InChIKeyNRVVFOKWKSWIIV-UHFFFAOYSA-N
XLogP-0.21
TPSA137.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-(2-(Methylamino)ethyl)-5-isoquinolinesulfonamide
CID 3540
N-(2-Aminoethyl)isoquinoline-5-sulfonamide
CID 3544
1-Isoquinolinamine
CID 73742
1-(5-Isoquinolinylsulfonyl)piperazine
CID 3545
N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide
CID 3546
Isoquinolin-3-Amine
CID 311869
1-Guanidino-4-chloro-7-sulfamoyl-isoquinoline
CID 16658353
2-[4-Chloro-7-(pyrrolidine-1-sulfonyl)isoquinolin-1-yl]guanidine
CID 16658354
1-(4-Chloro-7-(4-methylpiperazin-1-ylsulfonyl)isoquinolin-1-YL)guanidine
CID 16658355
1-Guanidino-7-phenylsulphamoylisoquinoline
CID 16658631
1-Guanidino-4-chloro-7-cyclopentylsulfamoyl-isoquinoline
CID 16658633
Arylsulfonylpiperazine, 18
CID 24901355

Frequently Asked Questions

What is the IUPAC name of 2-(7-sulfamoylisoquinolin-1-yl)guanidine?
The IUPAC name of 2-(7-sulfamoylisoquinolin-1-yl)guanidine (CID 16658352) is 2-(7-sulfamoylisoquinolin-1-yl)guanidine.
What is the SMILES notation for 2-(7-sulfamoylisoquinolin-1-yl)guanidine?
The canonical SMILES for 2-(7-sulfamoylisoquinolin-1-yl)guanidine is NC(N)=Nc1nccc2ccc(S(N)(=O)=O)cc12.
What is the InChIKey of 2-(7-sulfamoylisoquinolin-1-yl)guanidine?
The InChIKey is NRVVFOKWKSWIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c11-10(12)15-9-8-5-7(18(13,16)17)2-1-6(8)3-4-14-9/h1-5H,(H2,13,16,17)(H4,11,12,14,15).
What are the key properties of 2-(7-sulfamoylisoquinolin-1-yl)guanidine?
2-(7-sulfamoylisoquinolin-1-yl)guanidine has a molecular weight of 265.30 g/mol, XLogP of -0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-sulfamoylisoquinolin-1-yl)guanidine is sourced from PubChem (CID 16658352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).