2-(3-aminophenyl)sulfonylguanidine

C7H10N4O2S — CID 10536580

IUPAC2-(3-aminophenyl)sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C7H10N4O2S/c8-5-2-1-3-6(4-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)
InChIKeyIATWKSHAOXWZMQ-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.77
Rot. Bonds2

About 2-(3-aminophenyl)sulfonylguanidine

2-(3-aminophenyl)sulfonylguanidine (PubChem CID 10536580) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfonylguanidine.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfonylguanidine
PubChem CID10536580
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC Name2-(3-aminophenyl)sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C7H10N4O2S/c8-5-2-1-3-6(4-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)
InChIKeyIATWKSHAOXWZMQ-UHFFFAOYSA-N
XLogP-0.77
TPSA124.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(3-aminophenyl)sulfonylguanidine?
The IUPAC name of 2-(3-aminophenyl)sulfonylguanidine (CID 10536580) is 2-(3-aminophenyl)sulfonylguanidine.
What is the SMILES notation for 2-(3-aminophenyl)sulfonylguanidine?
The canonical SMILES for 2-(3-aminophenyl)sulfonylguanidine is NC(N)=NS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfonylguanidine?
The InChIKey is IATWKSHAOXWZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c8-5-2-1-3-6(4-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11).
What are the key properties of 2-(3-aminophenyl)sulfonylguanidine?
2-(3-aminophenyl)sulfonylguanidine has a molecular weight of 214.25 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfonylguanidine is sourced from PubChem (CID 10536580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).