N-(diaminomethylideneamino)sulfonylcarbonylbenzamide

C9H10N4O4S — CID 90866309

IUPACN-(diaminomethylideneamino)sulfonylcarbonylbenzamide
SMILESNC(N)=NS(=O)(=O)C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C9H10N4O4S/c10-8(11)13-18(16,17)9(15)12-7(14)6-4-2-1-3-5-6/h1-5H,(H4,10,11,13)(H,12,14,15)
InChIKeyHTIZYYOGBNBYQL-UHFFFAOYSA-N
MW270.27 g/mol
LogP-0.86
Rot. Bonds2

About N-(diaminomethylideneamino)sulfonylcarbonylbenzamide

N-(diaminomethylideneamino)sulfonylcarbonylbenzamide (PubChem CID 90866309) has the molecular formula C9H10N4O4S and a molecular weight of 270.27 g/mol. Its IUPAC name is N-(diaminomethylideneamino)sulfonylcarbonylbenzamide.

Molecular Properties

Compound NameN-(diaminomethylideneamino)sulfonylcarbonylbenzamide
PubChem CID90866309
Molecular FormulaC9H10N4O4S
Molecular Weight270.27 g/mol
Exact Mass270.04
IUPAC NameN-(diaminomethylideneamino)sulfonylcarbonylbenzamide
SMILESNC(N)=NS(=O)(=O)C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C9H10N4O4S/c10-8(11)13-18(16,17)9(15)12-7(14)6-4-2-1-3-5-6/h1-5H,(H4,10,11,13)(H,12,14,15)
InChIKeyHTIZYYOGBNBYQL-UHFFFAOYSA-N
XLogP-0.86
TPSA144.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 5-0.86
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'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylideneamino)sulfonylcarbonylbenzamide?
The IUPAC name of N-(diaminomethylideneamino)sulfonylcarbonylbenzamide (CID 90866309) is N-(diaminomethylideneamino)sulfonylcarbonylbenzamide.
What is the SMILES notation for N-(diaminomethylideneamino)sulfonylcarbonylbenzamide?
The canonical SMILES for N-(diaminomethylideneamino)sulfonylcarbonylbenzamide is NC(N)=NS(=O)(=O)C(=O)NC(=O)c1ccccc1.
What is the InChIKey of N-(diaminomethylideneamino)sulfonylcarbonylbenzamide?
The InChIKey is HTIZYYOGBNBYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4S/c10-8(11)13-18(16,17)9(15)12-7(14)6-4-2-1-3-5-6/h1-5H,(H4,10,11,13)(H,12,14,15).
What are the key properties of N-(diaminomethylideneamino)sulfonylcarbonylbenzamide?
N-(diaminomethylideneamino)sulfonylcarbonylbenzamide has a molecular weight of 270.27 g/mol, XLogP of -0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylideneamino)sulfonylcarbonylbenzamide is sourced from PubChem (CID 90866309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).