2-cyano-N-(4-sulfamoylphenyl)acetamide

C9H9N3O3S — CID 2357187

IUPAC2-cyano-N-(4-sulfamoylphenyl)acetamide
SMILESN#CCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H9N3O3S/c10-6-5-9(13)12-7-1-3-8(4-2-7)16(11,14)15/h1-4H,5H2,(H,12,13)(H2,11,14,15)
InChIKeyIQSWUJWQROLSRO-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.19
Rot. Bonds3

About 2-cyano-N-(4-sulfamoylphenyl)acetamide

2-cyano-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2357187) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-cyano-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(4-sulfamoylphenyl)acetamide
PubChem CID2357187
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name2-cyano-N-(4-sulfamoylphenyl)acetamide
SMILESN#CCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H9N3O3S/c10-6-5-9(13)12-7-1-3-8(4-2-7)16(11,14)15/h1-4H,5H2,(H,12,13)(H2,11,14,15)
InChIKeyIQSWUJWQROLSRO-UHFFFAOYSA-N
XLogP0.19
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(4-sulfamoylphenyl)acetamide (CID 2357187) is 2-cyano-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(4-sulfamoylphenyl)acetamide is N#CCC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-cyano-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is IQSWUJWQROLSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c10-6-5-9(13)12-7-1-3-8(4-2-7)16(11,14)15/h1-4H,5H2,(H,12,13)(H2,11,14,15).
What are the key properties of 2-cyano-N-(4-sulfamoylphenyl)acetamide?
2-cyano-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 239.26 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2357187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).