2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine

C17H19BrN2O2S — CID 68549920

IUPAC2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine
SMILESCc1cccnc1C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H19BrN2O2S/c1-13-3-2-10-19-17(13)14-8-11-20(12-9-14)23(21,22)16-6-4-15(18)5-7-16/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyLENKBPBWZXXYIO-UHFFFAOYSA-N
MW395.32 g/mol
LogP3.72
Rot. Bonds3

About 2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine

2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine (PubChem CID 68549920) has the molecular formula C17H19BrN2O2S and a molecular weight of 395.32 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine
PubChem CID68549920
Molecular FormulaC17H19BrN2O2S
Molecular Weight395.32 g/mol
Exact Mass394.04
IUPAC Name2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine
SMILESCc1cccnc1C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H19BrN2O2S/c1-13-3-2-10-19-17(13)14-8-11-20(12-9-14)23(21,22)16-6-4-15(18)5-7-16/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyLENKBPBWZXXYIO-UHFFFAOYSA-N
XLogP3.72
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylpyridine
CID 68554867
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine
CID 175864648
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 1344730
4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine
CID 18328899
1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid
CID 737843
1-[4-(4-bromophenoxy)phenyl]sulfonyl-4-methylpiperidine
CID 91806952
1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine
CID 61217397
1-(4-bromophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
CID 71800894
1-(4-bromophenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 3264362
8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124759299

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine?
The IUPAC name of 2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine (CID 68549920) is 2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine.
What is the SMILES notation for 2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine?
The canonical SMILES for 2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine is Cc1cccnc1C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine?
The InChIKey is LENKBPBWZXXYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2S/c1-13-3-2-10-19-17(13)14-8-11-20(12-9-14)23(21,22)16-6-4-15(18)5-7-16/h2-7,10,14H,8-9,11-12H2,1H3.
What are the key properties of 2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine?
2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine has a molecular weight of 395.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine is sourced from PubChem (CID 68549920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).