1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine

C14H20BrNO3S — CID 61060166

IUPAC1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine
SMILESCCC1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C14H20BrNO3S/c1-3-11-6-8-16(9-7-11)20(17,18)12-4-5-14(19-2)13(15)10-12/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyDXBATGIJSMRBLQ-UHFFFAOYSA-N
MW362.29 g/mol
LogP3.27
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine

1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine (PubChem CID 61060166) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine
PubChem CID61060166
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine
SMILESCCC1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C14H20BrNO3S/c1-3-11-6-8-16(9-7-11)20(17,18)12-4-5-14(19-2)13(15)10-12/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyDXBATGIJSMRBLQ-UHFFFAOYSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959359
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol
CID 43502818
(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine
CID 113282428
4-(3-bromo-4-methoxyphenyl)sulfonyl-2-ethylthiomorpholine
CID 115650859
1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 23961657
2-bromo-4-(cyclobutylmethylsulfonyl)-1-methoxybenzene
CID 170744006
[1-(3-bromo-4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972110
1-(3-bromo-4-methoxyphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine
CID 83218669
1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine
CID 7574290
1-[1-(3-bromo-4-ethoxyphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974938
3-bromo-4-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46772852
4-(3-bromo-4-methoxyphenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63600524

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine (CID 61060166) is 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine is CCC1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine?
The InChIKey is DXBATGIJSMRBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c1-3-11-6-8-16(9-7-11)20(17,18)12-4-5-14(19-2)13(15)10-12/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine?
1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine has a molecular weight of 362.29 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine is sourced from PubChem (CID 61060166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).