4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine

C17H24BrClN2O4S — CID 55735041

IUPAC4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C17H24BrClN2O4S/c1-24-17-15(18)10-14(19)11-16(17)26(22,23)21-4-2-13(3-5-21)12-20-6-8-25-9-7-20/h10-11,13H,2-9,12H2,1H3
InChIKeyAMQJOAKHIXZTSW-UHFFFAOYSA-N
MW467.81 g/mol
LogP2.84
Rot. Bonds5

About 4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine

4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine (PubChem CID 55735041) has the molecular formula C17H24BrClN2O4S and a molecular weight of 467.81 g/mol. Its IUPAC name is 4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine
PubChem CID55735041
Molecular FormulaC17H24BrClN2O4S
Molecular Weight467.81 g/mol
Exact Mass466.03
IUPAC Name4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C17H24BrClN2O4S/c1-24-17-15(18)10-14(19)11-16(17)26(22,23)21-4-2-13(3-5-21)12-20-6-8-25-9-7-20/h10-11,13H,2-9,12H2,1H3
InChIKeyAMQJOAKHIXZTSW-UHFFFAOYSA-N
XLogP2.84
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.81
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977678
4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine
CID 110758541
(3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine
CID 102977592
2-[4-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 51132593
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 119961646
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol
CID 43502998
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55913680
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536928
ethyl 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 55544338
4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 60540053
4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284722
4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 110284731

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine (CID 55735041) is 4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine is COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine?
The InChIKey is AMQJOAKHIXZTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrClN2O4S/c1-24-17-15(18)10-14(19)11-16(17)26(22,23)21-4-2-13(3-5-21)12-20-6-8-25-9-7-20/h10-11,13H,2-9,12H2,1H3.
What are the key properties of 4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine?
4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine has a molecular weight of 467.81 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 55735041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).