[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone

C18H19BrN2O4S — CID 18105777

IUPAC[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C18H19BrN2O4S/c1-25-16-6-2-14(3-7-16)18(22)20-10-12-21(13-11-20)26(23,24)17-8-4-15(19)5-9-17/h2-9H,10-13H2,1H3
InChIKeyAWCWGQQCOHENEG-UHFFFAOYSA-N
MW439.33 g/mol
LogP2.60
Rot. Bonds4

About [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone

[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 18105777) has the molecular formula C18H19BrN2O4S and a molecular weight of 439.33 g/mol. Its IUPAC name is [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID18105777
Molecular FormulaC18H19BrN2O4S
Molecular Weight439.33 g/mol
Exact Mass438.02
IUPAC Name[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C18H19BrN2O4S/c1-25-16-6-2-14(3-7-16)18(22)20-10-12-21(13-11-20)26(23,24)17-8-4-15(19)5-9-17/h2-9H,10-13H2,1H3
InChIKeyAWCWGQQCOHENEG-UHFFFAOYSA-N
XLogP2.60
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone (CID 18105777) is [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is AWCWGQQCOHENEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4S/c1-25-16-6-2-14(3-7-16)18(22)20-10-12-21(13-11-20)26(23,24)17-8-4-15(19)5-9-17/h2-9H,10-13H2,1H3.
What are the key properties of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 439.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 18105777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).