N-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide

C14H18N2O2S — CID 107422243

IUPACN-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESO=S(=O)(NC1CC=CCC1)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H18N2O2S/c17-19(18,16-13-4-2-1-3-5-13)14-7-6-11-9-15-10-12(11)8-14/h1-2,6-8,13,15-16H,3-5,9-10H2
InChIKeyLXXWAEPHZILHAH-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.68
Rot. Bonds3

About N-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide

N-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107422243) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107422243
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESO=S(=O)(NC1CC=CCC1)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H18N2O2S/c17-19(18,16-13-4-2-1-3-5-13)14-7-6-11-9-15-10-12(11)8-14/h1-2,6-8,13,15-16H,3-5,9-10H2
InChIKeyLXXWAEPHZILHAH-UHFFFAOYSA-N
XLogP1.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422453
N-(thian-3-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422407
4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide
CID 115330193
methyl 4-[[(1S)-cyclohex-3-en-1-yl]sulfamoyl]benzoate
CID 124505936
N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422097
N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421711
N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421701
5-methylsulfonyl-2,3-dihydro-1H-isoindole
CID 122493957
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422504
N-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide
CID 129205364
N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422505
N-piperidin-3-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43120037

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107422243) is N-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide is O=S(=O)(NC1CC=CCC1)c1ccc2c(c1)CNC2.
What is the InChIKey of N-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is LXXWAEPHZILHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-19(18,16-13-4-2-1-3-5-13)14-7-6-11-9-15-10-12(11)8-14/h1-2,6-8,13,15-16H,3-5,9-10H2.
What are the key properties of N-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 278.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107422243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).