1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine

C16H20BrN3O2S2 — CID 71800894

IUPAC1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
SMILESCn1ccnc1SCC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H20BrN3O2S2/c1-19-11-8-18-16(19)23-12-13-6-9-20(10-7-13)24(21,22)15-4-2-14(17)3-5-15/h2-5,8,11,13H,6-7,9-10,12H2,1H3
InChIKeyFXBZYLRWVSNZMK-UHFFFAOYSA-N
MW430.39 g/mol
LogP3.38
Rot. Bonds5

About 1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine

1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine (PubChem CID 71800894) has the molecular formula C16H20BrN3O2S2 and a molecular weight of 430.39 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
PubChem CID71800894
Molecular FormulaC16H20BrN3O2S2
Molecular Weight430.39 g/mol
Exact Mass429.02
IUPAC Name1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
SMILESCn1ccnc1SCC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H20BrN3O2S2/c1-19-11-8-18-16(19)23-12-13-6-9-20(10-7-13)24(21,22)15-4-2-14(17)3-5-15/h2-5,8,11,13H,6-7,9-10,12H2,1H3
InChIKeyFXBZYLRWVSNZMK-UHFFFAOYSA-N
XLogP3.38
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine 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

(2-bromophenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
CID 71800839
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 4881938
(2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
CID 71800834
1-(4-bromophenyl)sulfonyl-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
CID 90561896
2-(azetidin-3-ylmethylsulfanyl)-1-methylimidazole;hydrochloride
CID 86262217
3-(bromomethyl)-1-(4-bromophenyl)sulfonylpyrrolidine
CID 80675386
1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine
CID 61217397
2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine
CID 68549920
1-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977924
4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine
CID 18328899

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine (CID 71800894) is 1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine is Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine?
The InChIKey is FXBZYLRWVSNZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2S2/c1-19-11-8-18-16(19)23-12-13-6-9-20(10-7-13)24(21,22)15-4-2-14(17)3-5-15/h2-5,8,11,13H,6-7,9-10,12H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine?
1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine has a molecular weight of 430.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine is sourced from PubChem (CID 71800894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).