4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide

C12H12N2O2S — CID 113256895

IUPAC4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CC=CC2)cc1
InChIInChI=1S/C12H12N2O2S/c13-9-10-5-7-12(8-6-10)17(15,16)14-11-3-1-2-4-11/h1-2,5-8,11,14H,3-4H2
InChIKeyHYQCIXTZBGZFOB-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.56
Rot. Bonds3

About 4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide

4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide (PubChem CID 113256895) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide
PubChem CID113256895
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CC=CC2)cc1
InChIInChI=1S/C12H12N2O2S/c13-9-10-5-7-12(8-6-10)17(15,16)14-11-3-1-2-4-11/h1-2,5-8,11,14H,3-4H2
InChIKeyHYQCIXTZBGZFOB-UHFFFAOYSA-N
XLogP1.56
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672192
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
CID 6734825
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide
CID 106833491
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
CID 103765723
N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide
CID 80662442
4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 91626350
4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide
CID 43822806

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide (CID 113256895) is 4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC2CC=CC2)cc1.
What is the InChIKey of 4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide?
The InChIKey is HYQCIXTZBGZFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c13-9-10-5-7-12(8-6-10)17(15,16)14-11-3-1-2-4-11/h1-2,5-8,11,14H,3-4H2.
What are the key properties of 4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide?
4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide has a molecular weight of 248.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide is sourced from PubChem (CID 113256895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).