[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone

C14H15BrCl2N2O3S — CID 24654557

IUPAC[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone
SMILESO=C(C1CC1(Cl)Cl)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H15BrCl2N2O3S/c15-10-1-3-11(4-2-10)23(21,22)19-7-5-18(6-8-19)13(20)12-9-14(12,16)17/h1-4,12H,5-9H2
InChIKeyVHVBOCQDDXJXJQ-UHFFFAOYSA-N
MW442.16 g/mol
LogP2.48
Rot. Bonds3

About [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone

[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone (PubChem CID 24654557) has the molecular formula C14H15BrCl2N2O3S and a molecular weight of 442.16 g/mol. Its IUPAC name is [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone.

Molecular Properties

Compound Name[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone
PubChem CID24654557
Molecular FormulaC14H15BrCl2N2O3S
Molecular Weight442.16 g/mol
Exact Mass439.94
IUPAC Name[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone
SMILESO=C(C1CC1(Cl)Cl)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H15BrCl2N2O3S/c15-10-1-3-11(4-2-10)23(21,22)19-7-5-18(6-8-19)13(20)12-9-14(12,16)17/h1-4,12H,5-9H2
InChIKeyVHVBOCQDDXJXJQ-UHFFFAOYSA-N
XLogP2.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.16
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methanone
CID 73221285
(2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 78780160
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735167
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 11799370
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 17461395
1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid
CID 737843
1-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 61060326
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 9496065
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-ethoxyethanone
CID 9496252
azepan-1-yl-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 41302489
4-amino-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
CID 119265503
cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110817571

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone?
The IUPAC name of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone (CID 24654557) is [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone.
What is the SMILES notation for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone?
The canonical SMILES for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone is O=C(C1CC1(Cl)Cl)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone?
The InChIKey is VHVBOCQDDXJXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrCl2N2O3S/c15-10-1-3-11(4-2-10)23(21,22)19-7-5-18(6-8-19)13(20)12-9-14(12,16)17/h1-4,12H,5-9H2.
What are the key properties of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone?
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone has a molecular weight of 442.16 g/mol, XLogP of 2.48, 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]-(2,2-dichlorocyclopropyl)methanone is sourced from PubChem (CID 24654557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).