[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone

C16H22BrN3O5S — CID 24603024

IUPAC[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1Br
InChIInChI=1S/C16H22BrN3O5S/c1-24-15-3-2-13(12-14(15)17)26(22,23)20-6-4-18(5-7-20)16(21)19-8-10-25-11-9-19/h2-3,12H,4-11H2,1H3
InChIKeyIIRSSHOYQBOPRD-UHFFFAOYSA-N
MW448.34 g/mol
LogP1.22
Rot. Bonds3

About [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone

[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 24603024) has the molecular formula C16H22BrN3O5S and a molecular weight of 448.34 g/mol. Its IUPAC name is [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID24603024
Molecular FormulaC16H22BrN3O5S
Molecular Weight448.34 g/mol
Exact Mass447.05
IUPAC Name[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1Br
InChIInChI=1S/C16H22BrN3O5S/c1-24-15-3-2-13(12-14(15)17)26(22,23)20-6-4-18(5-7-20)16(21)19-8-10-25-11-9-19/h2-3,12H,4-11H2,1H3
InChIKeyIIRSSHOYQBOPRD-UHFFFAOYSA-N
XLogP1.22
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.34
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019
[1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 55601195
3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 1349058
1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 23961657
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol
CID 43502818
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 16615053
(3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone
CID 51197836
1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine
CID 61060166
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959359
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55476348

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone (CID 24603024) is [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1Br.
What is the InChIKey of [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is IIRSSHOYQBOPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O5S/c1-24-15-3-2-13(12-14(15)17)26(22,23)20-6-4-18(5-7-20)16(21)19-8-10-25-11-9-19/h2-3,12H,4-11H2,1H3.
What are the key properties of [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 448.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24603024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).