[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C20H23BrFN3O3S2 — CID 3640476

IUPAC[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H23BrFN3O3S2/c21-18-7-8-19(29-18)30(27,28)25-9-3-4-15(14-25)20(26)24-12-10-23(11-13-24)17-6-2-1-5-16(17)22/h1-2,5-8,15H,3-4,9-14H2
InChIKeyXRPYLZBOUGIWON-UHFFFAOYSA-N
MW516.46 g/mol
LogP3.40
Rot. Bonds4

About [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 3640476) has the molecular formula C20H23BrFN3O3S2 and a molecular weight of 516.46 g/mol. Its IUPAC name is [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID3640476
Molecular FormulaC20H23BrFN3O3S2
Molecular Weight516.46 g/mol
Exact Mass515.03
IUPAC Name[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H23BrFN3O3S2/c21-18-7-8-19(29-18)30(27,28)25-9-3-4-15(14-25)20(26)24-12-10-23(11-13-24)17-6-2-1-5-16(17)22/h1-2,5-8,15H,3-4,9-14H2
InChIKeyXRPYLZBOUGIWON-UHFFFAOYSA-N
XLogP3.40
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone 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

(4-Phenylpiperazin-1-yl)(1-(thiophen-2-ylsulfonyl)piperidin-4-yl)methanone
CID 1190372
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3238380
1-{1-[(5-Bromothiophen-2-YL)sulfonyl]piperidine-3-carbonyl}-4-(4-fluorophenyl)piperazine
CID 4530502
5-bromo-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 3241003
1-{1-[(5-Bromothiophen-2-yl)sulfonyl]piperidine-4-carbonyl}-4-phenylpiperazine
CID 3640171
[1-(5-Bromothiophen-2-yl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3640176
5-Bromo-N-({4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)thiophene-2-sulfonamide
CID 4525456
1-{1-[(5-Bromothiophen-2-YL)sulfonyl]piperidine-3-carbonyl}-4-(2,3-dimethylphenyl)piperazine
CID 15989613
1-[4-(4-{1-[(5-Bromothiophen-2-YL)sulfonyl]piperidine-3-carbonyl}piperazin-1-YL)phenyl]ethan-1-one
CID 15989630
1-(2-Fluorophenyl)-4-[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]piperazine
CID 2440602
N-(4-bromophenyl)-1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-3-carboxamide
CID 3640177
[4-(2-Fluorophenyl)piperazino][1-(2-thienylsulfonyl)-3-piperidyl]methanone
CID 15989416

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 3640476) is [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is XRPYLZBOUGIWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrFN3O3S2/c21-18-7-8-19(29-18)30(27,28)25-9-3-4-15(14-25)20(26)24-12-10-23(11-13-24)17-6-2-1-5-16(17)22/h1-2,5-8,15H,3-4,9-14H2.
What are the key properties of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 516.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3640476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).