1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine

C13H18BrNO3S — CID 61217397

IUPAC1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine
SMILESCCOC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrNO3S/c1-2-18-12-7-9-15(10-8-12)19(16,17)13-5-3-11(14)4-6-13/h3-6,12H,2,7-10H2,1H3
InChIKeyMHXCQZKULNWWNR-UHFFFAOYSA-N
MW348.26 g/mol
LogP2.64
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine

1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine (PubChem CID 61217397) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine
PubChem CID61217397
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Name1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine
SMILESCCOC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrNO3S/c1-2-18-12-7-9-15(10-8-12)19(16,17)13-5-3-11(14)4-6-13/h3-6,12H,2,7-10H2,1H3
InChIKeyMHXCQZKULNWWNR-UHFFFAOYSA-N
XLogP2.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61219591
1-(4-bromo-3-methylphenyl)sulfonyl-4-ethoxypiperidine
CID 47350781
1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217736
4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61220131
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
1-[4-(4-bromophenoxy)phenyl]sulfonyl-4-methylpiperidine
CID 91806952
3-(4-ethoxypiperidin-1-yl)sulfonylbenzoic acid
CID 61216502
1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine
CID 61217396
3,5-dibromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61219950
1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63175057
1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine
CID 121164715

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine (CID 61217397) is 1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine is CCOC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine?
The InChIKey is MHXCQZKULNWWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c1-2-18-12-7-9-15(10-8-12)19(16,17)13-5-3-11(14)4-6-13/h3-6,12H,2,7-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine?
1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine has a molecular weight of 348.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine is sourced from PubChem (CID 61217397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).