2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone

C17H24BrN3O3S — CID 24525788

IUPAC2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N1CCCCC1
InChIInChI=1S/C17H24BrN3O3S/c18-15-4-6-16(7-5-15)25(23,24)21-12-10-19(11-13-21)14-17(22)20-8-2-1-3-9-20/h4-7H,1-3,8-14H2
InChIKeyICQGBECDPZQHMK-UHFFFAOYSA-N
MW430.37 g/mol
LogP1.77
Rot. Bonds4

About 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 24525788) has the molecular formula C17H24BrN3O3S and a molecular weight of 430.37 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID24525788
Molecular FormulaC17H24BrN3O3S
Molecular Weight430.37 g/mol
Exact Mass429.07
IUPAC Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N1CCCCC1
InChIInChI=1S/C17H24BrN3O3S/c18-15-4-6-16(7-5-15)25(23,24)21-12-10-19(11-13-21)14-17(22)20-8-2-1-3-9-20/h4-7H,1-3,8-14H2
InChIKeyICQGBECDPZQHMK-UHFFFAOYSA-N
XLogP1.77
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 71902944
N,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide
CID 24525790
1-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 61060326
N-[4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 67196353
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]sulfonylbenzenesulfonamide
CID 55512311
1-(azocan-1-yl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8693911
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112799963
1-(azepan-1-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 26390006
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 8742937
1-(azepan-1-yl)-2-[4-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylpiperazin-1-yl]ethanone
CID 55639416
2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-1-(4-fluorophenyl)ethanone
CID 22333727
4-amino-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
CID 119265503

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone (CID 24525788) is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is ICQGBECDPZQHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O3S/c18-15-4-6-16(7-5-15)25(23,24)21-12-10-19(11-13-21)14-17(22)20-8-2-1-3-9-20/h4-7H,1-3,8-14H2.
What are the key properties of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 430.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 24525788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).