1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine

C20H26Cl2N2O2S — CID 4264866

IUPAC1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H26Cl2N2O2S/c21-18-2-1-17(10-19(18)22)27(25,26)24-5-3-23(4-6-24)20-11-14-7-15(12-20)9-16(8-14)13-20/h1-2,10,14-16H,3-9,11-13H2
InChIKeyHUQNMPBMMHHCIB-UHFFFAOYSA-N
MW429.41 g/mol
LogP4.27
Rot. Bonds3

About 1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine

1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine (PubChem CID 4264866) has the molecular formula C20H26Cl2N2O2S and a molecular weight of 429.41 g/mol. Its IUPAC name is 1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
PubChem CID4264866
Molecular FormulaC20H26Cl2N2O2S
Molecular Weight429.41 g/mol
Exact Mass428.11
IUPAC Name1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H26Cl2N2O2S/c21-18-2-1-17(10-19(18)22)27(25,26)24-5-3-23(4-6-24)20-11-14-7-15(12-20)9-16(8-14)13-20/h1-2,10,14-16H,3-9,11-13H2
InChIKeyHUQNMPBMMHHCIB-UHFFFAOYSA-N
XLogP4.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine 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

1-(1-adamantyl)-4-[3-(4-chlorophenyl)sulfonylphenyl]sulfonylpiperazine
CID 5026297
4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80672110
1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 23738911
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
[4-(1-adamantyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 5141037
3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 63397150
1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980298
1-(3,4-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350706
1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 163331836
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 33220676
2-bicyclo[2.2.1]heptanyl-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 22109780

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine (CID 4264866) is 1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine?
The InChIKey is HUQNMPBMMHHCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2O2S/c21-18-2-1-17(10-19(18)22)27(25,26)24-5-3-23(4-6-24)20-11-14-7-15(12-20)9-16(8-14)13-20/h1-2,10,14-16H,3-9,11-13H2.
What are the key properties of 1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine?
1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine has a molecular weight of 429.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 4264866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).