[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone

C16H21BrN2O4S — CID 2295145

IUPAC[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N1CCOCC1
InChIInChI=1S/C16H21BrN2O4S/c17-14-1-3-15(4-2-14)24(21,22)19-7-5-13(6-8-19)16(20)18-9-11-23-12-10-18/h1-4,13H,5-12H2
InChIKeyIQRBSISQYQTWSR-UHFFFAOYSA-N
MW417.33 g/mol
LogP1.71
Rot. Bonds3

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

[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 2295145) has the molecular formula C16H21BrN2O4S and a molecular weight of 417.33 g/mol. Its IUPAC name is [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID2295145
Molecular FormulaC16H21BrN2O4S
Molecular Weight417.33 g/mol
Exact Mass416.04
IUPAC Name[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N1CCOCC1
InChIInChI=1S/C16H21BrN2O4S/c17-14-1-3-15(4-2-14)24(21,22)19-7-5-13(6-8-19)16(20)18-9-11-23-12-10-18/h1-4,13H,5-12H2
InChIKeyIQRBSISQYQTWSR-UHFFFAOYSA-N
XLogP1.71
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(4-bromophenyl)sulfonylpiperidin-4-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

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (CID 2295145) is [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N1CCOCC1.
What is the InChIKey of [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is IQRBSISQYQTWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O4S/c17-14-1-3-15(4-2-14)24(21,22)19-7-5-13(6-8-19)16(20)18-9-11-23-12-10-18/h1-4,13H,5-12H2.
What are the key properties of [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 417.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2295145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).