4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine

C11H16BrClN2O2S2 — CID 113498483

IUPAC4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine
SMILESCC1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC(C)N1C
InChIInChI=1S/C11H16BrClN2O2S2/c1-7-5-15(6-8(2)14(7)3)19(16,17)10-4-9(13)11(12)18-10/h4,7-8H,5-6H2,1-3H3
InChIKeyUGZVRGJAYXMQPM-UHFFFAOYSA-N
MW387.75 g/mol
LogP2.88
Rot. Bonds2

About 4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine

4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine (PubChem CID 113498483) has the molecular formula C11H16BrClN2O2S2 and a molecular weight of 387.75 g/mol. Its IUPAC name is 4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine.

Molecular Properties

Compound Name4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine
PubChem CID113498483
Molecular FormulaC11H16BrClN2O2S2
Molecular Weight387.75 g/mol
Exact Mass385.95
IUPAC Name4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine
SMILESCC1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC(C)N1C
InChIInChI=1S/C11H16BrClN2O2S2/c1-7-5-15(6-8(2)14(7)3)19(16,17)10-4-9(13)11(12)18-10/h4,7-8H,5-6H2,1-3H3
InChIKeyUGZVRGJAYXMQPM-UHFFFAOYSA-N
XLogP2.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.75
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine 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-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine
CID 80578318
[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol
CID 80577698
2-[4-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine
CID 80578865
6-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681040
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767025
N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide
CID 113402591
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-tert-butylazepane
CID 80578871
3,5-dichloro-4-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542749
5-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 115917735
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-3-isocyanatopiperidine
CID 80578054
2-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetic acid
CID 80577643
3-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 80577331

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine?
The IUPAC name of 4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine (CID 113498483) is 4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine.
What is the SMILES notation for 4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine?
The canonical SMILES for 4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine is CC1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC(C)N1C.
What is the InChIKey of 4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine?
The InChIKey is UGZVRGJAYXMQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O2S2/c1-7-5-15(6-8(2)14(7)3)19(16,17)10-4-9(13)11(12)18-10/h4,7-8H,5-6H2,1-3H3.
What are the key properties of 4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine?
4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine has a molecular weight of 387.75 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine is sourced from PubChem (CID 113498483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).