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

C27H29BrClN3O3S2 — CID 92906236

IUPAC[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H29BrClN3O3S2/c28-24-10-11-25(36-24)37(34,35)32-14-12-22(13-15-32)27(33)31-18-16-30(17-19-31)26(20-4-2-1-3-5-20)21-6-8-23(29)9-7-21/h1-11,22,26H,12-19H2/t26-/m1/s1
InChIKeyGWJFSAFVJACMAI-AREMUKBSSA-N
MW623.04 g/mol
LogP5.50
Rot. Bonds6

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

[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methanone (PubChem CID 92906236) has the molecular formula C27H29BrClN3O3S2 and a molecular weight of 623.04 g/mol. Its IUPAC name is [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methanone
PubChem CID92906236
Molecular FormulaC27H29BrClN3O3S2
Molecular Weight623.04 g/mol
Exact Mass621.05
IUPAC Name[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H29BrClN3O3S2/c28-24-10-11-25(36-24)37(34,35)32-14-12-22(13-15-32)27(33)31-18-16-30(17-19-31)26(20-4-2-1-3-5-20)21-6-8-23(29)9-7-21/h1-11,22,26H,12-19H2/t26-/m1/s1
InChIKeyGWJFSAFVJACMAI-AREMUKBSSA-N
XLogP5.50
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.04
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-[4-[(R)-(4-chlorophenyl)-phenylmethyl]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-benzhydrylpiperazin-1-yl)-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 100780620
[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 55414937
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 15989573
(4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 2903813
1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine
CID 39903994
1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide
CID 55919570
(3S)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 94917781
1-[(5-bromothiophen-2-yl)-(4-chlorophenyl)methyl]piperidine-4-carboxylic acid
CID 4043746
2-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 95088956
[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 92769694
1-(5-bromothiophen-2-yl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 39753135
(1-benzylpyrrolidin-2-yl)-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 60563338

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methanone (CID 92906236) is [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methanone is O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methanone?
The InChIKey is GWJFSAFVJACMAI-AREMUKBSSA-N. The full InChI is InChI=1S/C27H29BrClN3O3S2/c28-24-10-11-25(36-24)37(34,35)32-14-12-22(13-15-32)27(33)31-18-16-30(17-19-31)26(20-4-2-1-3-5-20)21-6-8-23(29)9-7-21/h1-11,22,26H,12-19H2/t26-/m1/s1.
What are the key properties of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methanone?
[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methanone has a molecular weight of 623.04 g/mol, XLogP of 5.50, 6 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-4-yl]-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 92906236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).