[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone

C15H20BrN3O4S — CID 55476348

IUPAC[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C15H20BrN3O4S/c16-13-3-1-2-4-14(13)24(21,22)19-7-5-17(6-8-19)15(20)18-9-11-23-12-10-18/h1-4H,5-12H2
InChIKeyZHNFQVOOZGSTCZ-UHFFFAOYSA-N
MW418.31 g/mol
LogP1.21
Rot. Bonds2

About [4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone

[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 55476348) has the molecular formula C15H20BrN3O4S and a molecular weight of 418.31 g/mol. Its IUPAC name is [4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID55476348
Molecular FormulaC15H20BrN3O4S
Molecular Weight418.31 g/mol
Exact Mass417.04
IUPAC Name[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C15H20BrN3O4S/c16-13-3-1-2-4-14(13)24(21,22)19-7-5-17(6-8-19)15(20)18-9-11-23-12-10-18/h1-4H,5-12H2
InChIKeyZHNFQVOOZGSTCZ-UHFFFAOYSA-N
XLogP1.21
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.31
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 34665578
morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019
4-(2-bromophenyl)sulfonylpiperazine-1-carbaldehyde
CID 3858856
tert-butyl 4-(2-bromophenyl)sulfonylpiperazine-1-carboxylate
CID 46743486
[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55558853
1-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one
CID 16574539
4-(2-bromophenyl)sulfonyl-N-ethoxypiperazine-1-carboxamide
CID 18133600
[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 24603024
2-morpholin-4-ylsulfonylphenol
CID 79020270
[4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55508764
2-morpholin-4-ylsulfonylbenzenesulfonamide
CID 43342653
[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 24603010

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone (CID 55476348) is [4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1.
What is the InChIKey of [4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is ZHNFQVOOZGSTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O4S/c16-13-3-1-2-4-14(13)24(21,22)19-7-5-17(6-8-19)15(20)18-9-11-23-12-10-18/h1-4H,5-12H2.
What are the key properties of [4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 418.31 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 55476348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).