1-[(4-chlorophenyl)methylsulfonyl]-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide

C20H20Cl3N3O3S — CID 142769108

IUPAC1-[(4-chlorophenyl)methylsulfonyl]-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CC2(CCN2S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20Cl3N3O3S/c21-16-4-1-14(2-5-16)11-30(28,29)26-8-7-20(26)12-25(13-20)19(27)24-10-15-3-6-17(22)9-18(15)23/h1-6,9H,7-8,10-13H2,(H,24,27)
InChIKeyAWFZOKCJUUGFQI-UHFFFAOYSA-N
MW488.82 g/mol
LogP4.15
Rot. Bonds5

About 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide

1-[(4-chlorophenyl)methylsulfonyl]-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide (PubChem CID 142769108) has the molecular formula C20H20Cl3N3O3S and a molecular weight of 488.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide
PubChem CID142769108
Molecular FormulaC20H20Cl3N3O3S
Molecular Weight488.82 g/mol
Exact Mass487.03
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CC2(CCN2S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20Cl3N3O3S/c21-16-4-1-14(2-5-16)11-30(28,29)26-8-7-20(26)12-25(13-20)19(27)24-10-15-3-6-17(22)9-18(15)23/h1-6,9H,7-8,10-13H2,(H,24,27)
InChIKeyAWFZOKCJUUGFQI-UHFFFAOYSA-N
XLogP4.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.82
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide 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-(2,4-Dichlorobenzyl)-1-(4-fluorophenylsulfonyl)-1,6-diazaspiro[3.3]heptane-6-carboxamide
CID 71554976
6-(4-Chlorophenylsulfonyl)-N-(2,4-dichlorobenzyl)-1,6-diazaspiro[3.3]heptane-1-carboxamide
CID 71554977
1-(4-Chloro-benzenesulfonyl)-1,6-diaza-spiro[3.3]heptane-6-carboxylic acid 2,4-dichloro-benzylamide
CID 71555048
rac-6-Benzenesulfonyl-3,6-diaza-bicyclo[3.2.0]heptane-3-carboxylic acid 2,4-dichloro-benzylamide
CID 71555127
2-(benzenesulfonyl)-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-6-carboxamide
CID 89531963
N-(2,4-dichlorobenzyl)-1,6-diazaspiro[3.3]heptane-1-carboxamide
CID 86682350
1-(4-chlorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide
CID 89531965
N-[(2,4-dichlorophenyl)methyl]-6-(2,4-dichlorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptane-1-carboxamide
CID 117670653
[1-(4-chlorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl] N-[(2,4-dichlorophenyl)methyl]carbamate
CID 121300167
N-benzyl-2-[(2,4-dichlorophenyl)methylsulfonyl]-2,6-diazaspiro[3.3]heptane-6-carboxamide
CID 142769098
1-[(4-chlorophenyl)methylsulfonyl]-N-(3-phenylpropyl)-1,6-diazaspiro[3.3]heptane-6-carboxamide
CID 142769106
6-benzylsulfonyl-N-[(2,4-dichlorophenyl)methyl]-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide
CID 142769107

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide (CID 142769108) is 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CC2(CCN2S(=O)(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide?
The InChIKey is AWFZOKCJUUGFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl3N3O3S/c21-16-4-1-14(2-5-16)11-30(28,29)26-8-7-20(26)12-25(13-20)19(27)24-10-15-3-6-17(22)9-18(15)23/h1-6,9H,7-8,10-13H2,(H,24,27).
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide?
1-[(4-chlorophenyl)methylsulfonyl]-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide has a molecular weight of 488.82 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 142769108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).