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

C20H23BrClN3O3S2 — CID 15989611

IUPAC[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23BrClN3O3S2/c21-18-6-7-19(29-18)30(27,28)25-8-2-3-15(14-25)20(26)24-11-9-23(10-12-24)17-5-1-4-16(22)13-17/h1,4-7,13,15H,2-3,8-12,14H2
InChIKeyASKNRUGECRRVAI-UHFFFAOYSA-N
MW532.91 g/mol
LogP3.91
Rot. Bonds4

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

[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 15989611) has the molecular formula C20H23BrClN3O3S2 and a molecular weight of 532.91 g/mol. Its IUPAC name is [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID15989611
Molecular FormulaC20H23BrClN3O3S2
Molecular Weight532.91 g/mol
Exact Mass531.01
IUPAC Name[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23BrClN3O3S2/c21-18-6-7-19(29-18)30(27,28)25-8-2-3-15(14-25)20(26)24-11-9-23(10-12-24)17-5-1-4-16(22)13-17/h1,4-7,13,15H,2-3,8-12,14H2
InChIKeyASKNRUGECRRVAI-UHFFFAOYSA-N
XLogP3.91
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.91
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(3-chlorophenyl)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

1-{1-[(5-Bromothiophen-2-YL)sulfonyl]piperidine-3-carbonyl}-4-(4-fluorophenyl)piperazine
CID 4530502
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
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 15989552
1-{1-[(5-Bromothiophen-2-YL)sulfonyl]piperidine-3-carbonyl}-4-(2,3-dimethylphenyl)piperazine
CID 15989613
5-Bromo-N-({4-[4-(2-chlorophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)thiophene-2-sulfonamide
CID 15989660
1-{1-[(5-Bromothiophen-2-YL)sulfonyl]piperidine-3-carbonyl}-4-(2-fluorophenyl)piperazine
CID 3640476
1-(3-Chlorophenyl)-4-[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]piperazine
CID 15988655
1-(3-Chlorophenyl)-4-[1-(thiophene-2-sulfonyl)piperidine-3-carbonyl]piperazine
CID 15989414
[4-(3-Chlorophenyl)-2-thiophen-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
CID 118013355
1-{1-[(5-Bromothiophen-2-YL)sulfonyl]piperidine-4-carbonyl}-4-(4-fluorophenyl)piperazine
CID 3640173
1-{1-[(5-Bromothiophen-2-YL)sulfonyl]piperidine-3-carbonyl}-4-(5-chloro-2-methylphenyl)piperazine
CID 15989615

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 15989611) is [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone is O=C(C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is ASKNRUGECRRVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrClN3O3S2/c21-18-6-7-19(29-18)30(27,28)25-8-2-3-15(14-25)20(26)24-11-9-23(10-12-24)17-5-1-4-16(22)13-17/h1,4-7,13,15H,2-3,8-12,14H2.
What are the key properties of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 532.91 g/mol, XLogP of 3.91, 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-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 15989611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).