N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide

C24H32ClN3O2S — CID 66868696

IUPACN-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCNc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2
InChIInChI=1S/C24H32ClN3O2S/c1-2-16-31(29,30)28-15-14-26-21-9-4-18-10-13-27-23(22(18)17-21)24(11-3-12-24)19-5-7-20(25)8-6-19/h4-9,17,23,26-28H,2-3,10-16H2,1H3
InChIKeyAZAQILJLQZJARW-UHFFFAOYSA-N
MW462.06 g/mol
LogP4.39
Rot. Bonds9

About N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide

N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide (PubChem CID 66868696) has the molecular formula C24H32ClN3O2S and a molecular weight of 462.06 g/mol. Its IUPAC name is N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide
PubChem CID66868696
Molecular FormulaC24H32ClN3O2S
Molecular Weight462.06 g/mol
Exact Mass461.19
IUPAC NameN-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCNc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2
InChIInChI=1S/C24H32ClN3O2S/c1-2-16-31(29,30)28-15-14-26-21-9-4-18-10-13-27-23(22(18)17-21)24(11-3-12-24)19-5-7-20(25)8-6-19/h4-9,17,23,26-28H,2-3,10-16H2,1H3
InChIKeyAZAQILJLQZJARW-UHFFFAOYSA-N
XLogP4.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.06
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide (CID 66868696) is N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCNc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2.
What is the InChIKey of N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide?
The InChIKey is AZAQILJLQZJARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O2S/c1-2-16-31(29,30)28-15-14-26-21-9-4-18-10-13-27-23(22(18)17-21)24(11-3-12-24)19-5-7-20(25)8-6-19/h4-9,17,23,26-28H,2-3,10-16H2,1H3.
What are the key properties of N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide?
N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide has a molecular weight of 462.06 g/mol, XLogP of 4.39, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 66868696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).