4-(2-cyanoacetyl)benzenesulfonamide

C9H8N2O3S — CID 91621751

IUPAC4-(2-cyanoacetyl)benzenesulfonamide
SMILESN#CCC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H8N2O3S/c10-6-5-9(12)7-1-3-8(4-2-7)15(11,13)14/h1-4H,5H2,(H2,11,13,14)
InChIKeySSWLPROQQJDBQF-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.43
Rot. Bonds3

About 4-(2-cyanoacetyl)benzenesulfonamide

4-(2-cyanoacetyl)benzenesulfonamide (PubChem CID 91621751) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 4-(2-cyanoacetyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyanoacetyl)benzenesulfonamide
PubChem CID91621751
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name4-(2-cyanoacetyl)benzenesulfonamide
SMILESN#CCC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H8N2O3S/c10-6-5-9(12)7-1-3-8(4-2-7)15(11,13)14/h1-4H,5H2,(H2,11,13,14)
InChIKeySSWLPROQQJDBQF-UHFFFAOYSA-N
XLogP0.43
TPSA101.02 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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propanoylbenzenesulfonamide
CID 70209431
4-sulfamoylbenzoyl iodide
CID 88945846
potassium 4-sulfamoylbenzoate
CID 23684074
3-(4-methylsulfanylphenyl)-3-oxopropanenitrile
CID 79214701
3-[4-(methylamino)phenyl]-3-oxopropanenitrile
CID 156767557
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
4-benzoylbenzenesulfonamide
CID 70209200
CID 6327779
CID 6327779
3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propanenitrile
CID 68703655
N-ethyl-4-sulfamoylbenzamide
CID 10242881
N,N-dimethyl-4-sulfamoylbenzamide
CID 10353728
acetonitrile;4-methylbenzenesulfonamide
CID 67578872

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanoacetyl)benzenesulfonamide?
The IUPAC name of 4-(2-cyanoacetyl)benzenesulfonamide (CID 91621751) is 4-(2-cyanoacetyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-cyanoacetyl)benzenesulfonamide?
The canonical SMILES for 4-(2-cyanoacetyl)benzenesulfonamide is N#CCC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(2-cyanoacetyl)benzenesulfonamide?
The InChIKey is SSWLPROQQJDBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c10-6-5-9(12)7-1-3-8(4-2-7)15(11,13)14/h1-4H,5H2,(H2,11,13,14).
What are the key properties of 4-(2-cyanoacetyl)benzenesulfonamide?
4-(2-cyanoacetyl)benzenesulfonamide has a molecular weight of 224.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanoacetyl)benzenesulfonamide is sourced from PubChem (CID 91621751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).