N-(benzenesulfonyl)-2-cyanoacetamide

C9H8N2O3S — CID 765604

IUPACN-(benzenesulfonyl)-2-cyanoacetamide
SMILESN#CCC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H8N2O3S/c10-7-6-9(12)11-15(13,14)8-4-2-1-3-5-8/h1-5H,6H2,(H,11,12)
InChIKeyDRUAFAJGNZBDQX-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.41
Rot. Bonds3

About N-(benzenesulfonyl)-2-cyanoacetamide

N-(benzenesulfonyl)-2-cyanoacetamide (PubChem CID 765604) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-cyanoacetamide
PubChem CID765604
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC NameN-(benzenesulfonyl)-2-cyanoacetamide
SMILESN#CCC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H8N2O3S/c10-7-6-9(12)11-15(13,14)8-4-2-1-3-5-8/h1-5H,6H2,(H,11,12)
InChIKeyDRUAFAJGNZBDQX-UHFFFAOYSA-N
XLogP0.41
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-cyanoacetamide?
The IUPAC name of N-(benzenesulfonyl)-2-cyanoacetamide (CID 765604) is N-(benzenesulfonyl)-2-cyanoacetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-cyanoacetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-cyanoacetamide is N#CCC(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-2-cyanoacetamide?
The InChIKey is DRUAFAJGNZBDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c10-7-6-9(12)11-15(13,14)8-4-2-1-3-5-8/h1-5H,6H2,(H,11,12).
What are the key properties of N-(benzenesulfonyl)-2-cyanoacetamide?
N-(benzenesulfonyl)-2-cyanoacetamide has a molecular weight of 224.24 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-cyanoacetamide is sourced from PubChem (CID 765604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).