1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol

C12H15BrClNO4S — CID 43502998

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C12H15BrClNO4S/c1-19-12-10(13)5-8(14)6-11(12)20(17,18)15-4-2-3-9(16)7-15/h5-6,9,16H,2-4,7H2,1H3
InChIKeyYAWKVFUKXOJIBI-UHFFFAOYSA-N
MW384.68 g/mol
LogP2.26
Rot. Bonds3

About 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol

1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol (PubChem CID 43502998) has the molecular formula C12H15BrClNO4S and a molecular weight of 384.68 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol
PubChem CID43502998
Molecular FormulaC12H15BrClNO4S
Molecular Weight384.68 g/mol
Exact Mass382.96
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C12H15BrClNO4S/c1-19-12-10(13)5-8(14)6-11(12)20(17,18)15-4-2-3-9(16)7-15/h5-6,9,16H,2-4,7H2,1H3
InChIKeyYAWKVFUKXOJIBI-UHFFFAOYSA-N
XLogP2.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.68
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol (CID 43502998) is 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol is COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol?
The InChIKey is YAWKVFUKXOJIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO4S/c1-19-12-10(13)5-8(14)6-11(12)20(17,18)15-4-2-3-9(16)7-15/h5-6,9,16H,2-4,7H2,1H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol?
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol has a molecular weight of 384.68 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 43502998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).