N-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide

C9H9N3O3S — CID 54015360

IUPACN-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide
SMILESCON=C(C#N)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C9H9N3O3S/c1-15-12-8(6-10)7-4-2-3-5-9(7)16(11,13)14/h2-5H,1H3,(H2,11,13,14)
InChIKeyKVGJIHSMZXIWFF-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.21
Rot. Bonds3

About N-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide

N-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide (PubChem CID 54015360) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is N-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide.

Molecular Properties

Compound NameN-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide
PubChem CID54015360
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC NameN-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide
SMILESCON=C(C#N)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C9H9N3O3S/c1-15-12-8(6-10)7-4-2-3-5-9(7)16(11,13)14/h2-5H,1H3,(H2,11,13,14)
InChIKeyKVGJIHSMZXIWFF-UHFFFAOYSA-N
XLogP0.21
TPSA105.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide?
The IUPAC name of N-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide (CID 54015360) is N-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide.
What is the SMILES notation for N-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide?
The canonical SMILES for N-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide is CON=C(C#N)c1ccccc1S(N)(=O)=O.
What is the InChIKey of N-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide?
The InChIKey is KVGJIHSMZXIWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c1-15-12-8(6-10)7-4-2-3-5-9(7)16(11,13)14/h2-5H,1H3,(H2,11,13,14).
What are the key properties of N-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide?
N-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide has a molecular weight of 239.26 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide is sourced from PubChem (CID 54015360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).