1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol

C12H16BrNO4S — CID 43502818

IUPAC1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1Br
InChIInChI=1S/C12H16BrNO4S/c1-18-12-3-2-10(8-11(12)13)19(16,17)14-6-4-9(15)5-7-14/h2-3,8-9,15H,4-7H2,1H3
InChIKeyVJUVOFQKAUGPTQ-UHFFFAOYSA-N
MW350.23 g/mol
LogP1.60
Rot. Bonds3

About 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol

1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol (PubChem CID 43502818) has the molecular formula C12H16BrNO4S and a molecular weight of 350.23 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol
PubChem CID43502818
Molecular FormulaC12H16BrNO4S
Molecular Weight350.23 g/mol
Exact Mass349.00
IUPAC Name1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1Br
InChIInChI=1S/C12H16BrNO4S/c1-18-12-3-2-10(8-11(12)13)19(16,17)14-6-4-9(15)5-7-14/h2-3,8-9,15H,4-7H2,1H3
InChIKeyVJUVOFQKAUGPTQ-UHFFFAOYSA-N
XLogP1.60
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959359
1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine
CID 61060166
(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine
CID 113282428
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 23961657
1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine
CID 7574290
1-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871388
3-bromo-4-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46772852
[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 24603024
[(3S,4S)-1-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-yl]methanol
CID 129001945
(3R)-1-(3-bromo-4-methoxyphenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
CID 95345944
3-bromo-4-methoxybenzenesulfonic acid;hydrochloride
CID 174435857

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol (CID 43502818) is 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol is COc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol?
The InChIKey is VJUVOFQKAUGPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO4S/c1-18-12-3-2-10(8-11(12)13)19(16,17)14-6-4-9(15)5-7-14/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol?
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol has a molecular weight of 350.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 43502818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).