1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine

C20H21BrN2O4S2 — CID 39911934

IUPAC1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine
SMILESO=S(=O)(C1=Cc2ccccc2CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H21BrN2O4S2/c21-18-6-9-19(10-7-18)28(24,25)22-11-13-23(14-12-22)29(26,27)20-8-5-16-3-1-2-4-17(16)15-20/h1-4,6-7,9-10,15H,5,8,11-14H2
InChIKeyJMKJDDMGZDVSAP-UHFFFAOYSA-N
MW497.44 g/mol
LogP3.07
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine

1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine (PubChem CID 39911934) has the molecular formula C20H21BrN2O4S2 and a molecular weight of 497.44 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine
PubChem CID39911934
Molecular FormulaC20H21BrN2O4S2
Molecular Weight497.44 g/mol
Exact Mass496.01
IUPAC Name1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine
SMILESO=S(=O)(C1=Cc2ccccc2CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H21BrN2O4S2/c21-18-6-9-19(10-7-18)28(24,25)22-11-13-23(14-12-22)29(26,27)20-8-5-16-3-1-2-4-17(16)15-20/h1-4,6-7,9-10,15H,5,8,11-14H2
InChIKeyJMKJDDMGZDVSAP-UHFFFAOYSA-N
XLogP3.07
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine 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 1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine (CID 39911934) is 1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine is O=S(=O)(C1=Cc2ccccc2CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine?
The InChIKey is JMKJDDMGZDVSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O4S2/c21-18-6-9-19(10-7-18)28(24,25)22-11-13-23(14-12-22)29(26,27)20-8-5-16-3-1-2-4-17(16)15-20/h1-4,6-7,9-10,15H,5,8,11-14H2.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine?
1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine has a molecular weight of 497.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine is sourced from PubChem (CID 39911934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).