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

C15H19BrN2O4S — CID 6470810

IUPAC[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H19BrN2O4S/c16-12-3-5-13(6-4-12)23(20,21)18-9-7-17(8-10-18)15(19)14-2-1-11-22-14/h3-6,14H,1-2,7-11H2
InChIKeyPLZOCNJUHRBZKY-UHFFFAOYSA-N
MW403.30 g/mol
LogP1.46
Rot. Bonds3

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

[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 6470810) has the molecular formula C15H19BrN2O4S and a molecular weight of 403.30 g/mol. Its IUPAC name is [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID6470810
Molecular FormulaC15H19BrN2O4S
Molecular Weight403.30 g/mol
Exact Mass402.02
IUPAC Name[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H19BrN2O4S/c16-12-3-5-13(6-4-12)23(20,21)18-9-7-17(8-10-18)15(19)14-2-1-11-22-14/h3-6,14H,1-2,7-11H2
InChIKeyPLZOCNJUHRBZKY-UHFFFAOYSA-N
XLogP1.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Phenylsulfonyl)-4-(tetrahydro-2-furanylcarbonyl)piperazine
CID 2970319
2-(4-Bromo-benzenesulfonylamino)-N-(tetrahydro-furan-2-ylmethyl)-propionamide
CID 3157969
4-[(4-Fluorophenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 17377878
{1-[(4-Bromophenyl)sulfonyl]-2-pyrrolidinyl}(morpholino)methanone
CID 2768788
6-{[(4-bromophenyl)sulfonyl]amino}-N-(2-morpholin-4-ylethyl)hexanamide
CID 3237820
1-[(4-bromophenyl)sulfonyl]-N-(tetrahydro-2-furanylmethyl)-3-piperidinecarboxamide
CID 2981753
3-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 17192333
1-(4-bromophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 2920822
Cambridge id 7050331
CID 2925130
4-[(2,5-Difluorophenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 6471020
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 2458755
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 2458756

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (CID 6470810) is [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is PLZOCNJUHRBZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O4S/c16-12-3-5-13(6-4-12)23(20,21)18-9-7-17(8-10-18)15(19)14-2-1-11-22-14/h3-6,14H,1-2,7-11H2.
What are the key properties of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 403.30 g/mol, XLogP of 1.46, 3 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]-(oxolan-2-yl)methanone is sourced from PubChem (CID 6470810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).