2-(benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole

C19H22N2O2S — CID 155557005

IUPAC2-(benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole
SMILESO=S(=O)(c1ccccc1)N1Cc2cccc(C3CCNCC3)c2C1
InChIInChI=1S/C19H22N2O2S/c22-24(23,17-6-2-1-3-7-17)21-13-16-5-4-8-18(19(16)14-21)15-9-11-20-12-10-15/h1-8,15,20H,9-14H2
InChIKeyBOPISYWTWVZSMZ-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.86
Rot. Bonds3

About 2-(benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole

2-(benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole (PubChem CID 155557005) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole
PubChem CID155557005
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-(benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole
SMILESO=S(=O)(c1ccccc1)N1Cc2cccc(C3CCNCC3)c2C1
InChIInChI=1S/C19H22N2O2S/c22-24(23,17-6-2-1-3-7-17)21-13-16-5-4-8-18(19(16)14-21)15-9-11-20-12-10-15/h1-8,15,20H,9-14H2
InChIKeyBOPISYWTWVZSMZ-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole 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

Pf-04455242
CID 44599828
4-{2-[(Naphthalen-1-ylmethyl)amino]ethyl}benzenesulfonamide
CID 4718107
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide
CID 11674602
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]benzenesulfonamide
CID 23111951
PF-4455242
CID 53465410
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide
CID 35391328
N-(3-aminopropyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide
CID 57390335
N-(3-aminopropyl)-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide
CID 57390336
2-(Benzenesulfonyl)-5-(1-methylpiperidin-4-yl)-1,3-dihydroisoindole
CID 155543192
1-(Benzenesulfonyl)-4-piperidin-4-yl-2,3-dihydroindole
CID 155545832
1-(Benzenesulfonyl)-5-piperidin-4-yl-2,3-dihydroindole
CID 155546176
2-(Benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-1,3-dihydroisoindole
CID 155551102

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole?
The IUPAC name of 2-(benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole (CID 155557005) is 2-(benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole.
What is the SMILES notation for 2-(benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole?
The canonical SMILES for 2-(benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole is O=S(=O)(c1ccccc1)N1Cc2cccc(C3CCNCC3)c2C1.
What is the InChIKey of 2-(benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole?
The InChIKey is BOPISYWTWVZSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-24(23,17-6-2-1-3-7-17)21-13-16-5-4-8-18(19(16)14-21)15-9-11-20-12-10-15/h1-8,15,20H,9-14H2.
What are the key properties of 2-(benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole?
2-(benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole has a molecular weight of 342.46 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole is sourced from PubChem (CID 155557005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).