[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone

C17H23BrN2O3S — CID 3240243

IUPAC[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H23BrN2O3S/c18-15-6-8-16(9-7-15)24(22,23)20-12-10-19(11-13-20)17(21)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2
InChIKeyHIACHGISVPLBOY-UHFFFAOYSA-N
MW415.35 g/mol
LogP2.86
Rot. Bonds3

About [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone

[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone (PubChem CID 3240243) has the molecular formula C17H23BrN2O3S and a molecular weight of 415.35 g/mol. Its IUPAC name is [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone
PubChem CID3240243
Molecular FormulaC17H23BrN2O3S
Molecular Weight415.35 g/mol
Exact Mass414.06
IUPAC Name[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H23BrN2O3S/c18-15-6-8-16(9-7-15)24(22,23)20-12-10-19(11-13-20)17(21)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2
InChIKeyHIACHGISVPLBOY-UHFFFAOYSA-N
XLogP2.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone (CID 3240243) is [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone?
The InChIKey is HIACHGISVPLBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O3S/c18-15-6-8-16(9-7-15)24(22,23)20-12-10-19(11-13-20)17(21)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2.
What are the key properties of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone?
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone has a molecular weight of 415.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 3240243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).