4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine

C19H22BrNO2S — CID 7938048

IUPAC4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1Br
InChIInChI=1S/C19H22BrNO2S/c1-15-13-18(7-8-19(15)20)24(22,23)21-11-9-17(10-12-21)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14H2,1H3
InChIKeyLRFTZFLILFSINH-UHFFFAOYSA-N
MW408.36 g/mol
LogP4.40
Rot. Bonds4

About 4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine

4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine (PubChem CID 7938048) has the molecular formula C19H22BrNO2S and a molecular weight of 408.36 g/mol. Its IUPAC name is 4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine
PubChem CID7938048
Molecular FormulaC19H22BrNO2S
Molecular Weight408.36 g/mol
Exact Mass407.06
IUPAC Name4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1Br
InChIInChI=1S/C19H22BrNO2S/c1-15-13-18(7-8-19(15)20)24(22,23)21-11-9-17(10-12-21)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14H2,1H3
InChIKeyLRFTZFLILFSINH-UHFFFAOYSA-N
XLogP4.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
CID 55483004
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CID 99954773
1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine
CID 4885054
1-(4-bromo-3-methylphenyl)sulfonyl-4-ethoxypiperidine
CID 47350781
5-(4-benzylpiperidin-1-yl)sulfonyl-2-chloroaniline
CID 23120376
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CID 1254760
4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine
CID 1129609
4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 651778
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834649
(3R)-1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
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4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 3855275
3-(4-benzylpiperidin-1-yl)sulfonylbenzonitrile
CID 3258260

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine (CID 7938048) is 4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine is Cc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1Br.
What is the InChIKey of 4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine?
The InChIKey is LRFTZFLILFSINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2S/c1-15-13-18(7-8-19(15)20)24(22,23)21-11-9-17(10-12-21)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14H2,1H3.
What are the key properties of 4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine?
4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine has a molecular weight of 408.36 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 7938048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).