4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide

C13H14N2O2S — CID 106833491

IUPAC4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC=CC2)ccc1C#N
InChIInChI=1S/C13H14N2O2S/c1-10-8-13(7-6-11(10)9-14)18(16,17)15-12-4-2-3-5-12/h2-3,6-8,12,15H,4-5H2,1H3
InChIKeyNDJDDYVMGDXJQQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.86
Rot. Bonds3

About 4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide

4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide (PubChem CID 106833491) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide
PubChem CID106833491
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC=CC2)ccc1C#N
InChIInChI=1S/C13H14N2O2S/c1-10-8-13(7-6-11(10)9-14)18(16,17)15-12-4-2-3-5-12/h2-3,6-8,12,15H,4-5H2,1H3
InChIKeyNDJDDYVMGDXJQQ-UHFFFAOYSA-N
XLogP1.86
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.86
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-(1,1-dioxothiolan-3-yl)-3-methylbenzenesulfonamide
CID 106832865
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 106833317
4-cyano-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzenesulfonamide
CID 106833631
4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 113256895
4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
CID 106833286
4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106833406
4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 106833488
4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide
CID 106833028
4-cyano-3-methyl-N-prop-2-ynylbenzenesulfonamide
CID 106832941
N-(6-bromo-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
CID 106920444
N-(2-aminoethyl)-4-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120998868

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide (CID 106833491) is 4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2CC=CC2)ccc1C#N.
What is the InChIKey of 4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide?
The InChIKey is NDJDDYVMGDXJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-10-8-13(7-6-11(10)9-14)18(16,17)15-12-4-2-3-5-12/h2-3,6-8,12,15H,4-5H2,1H3.
What are the key properties of 4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide?
4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 1.86, 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-yl-3-methylbenzenesulfonamide is sourced from PubChem (CID 106833491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).