1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine

C21H21ClN2O2S2 — CID 2822245

IUPAC1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H21ClN2O2S2/c22-19-11-12-20(27-19)28(25,26)24-15-13-23(14-16-24)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,21H,13-16H2
InChIKeyAGQYMZWFJYCIKX-UHFFFAOYSA-N
MW433.00 g/mol
LogP4.50
Rot. Bonds5

About 1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine

1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine (PubChem CID 2822245) has the molecular formula C21H21ClN2O2S2 and a molecular weight of 433.00 g/mol. Its IUPAC name is 1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
PubChem CID2822245
Molecular FormulaC21H21ClN2O2S2
Molecular Weight433.00 g/mol
Exact Mass432.07
IUPAC Name1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H21ClN2O2S2/c22-19-11-12-20(27-19)28(25,26)24-15-13-23(14-16-24)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,21H,13-16H2
InChIKeyAGQYMZWFJYCIKX-UHFFFAOYSA-N
XLogP4.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.00
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine 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-[(5-Chlorothiophen-2-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 1228698
1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 2480643
4-Benzyl-1-[(5-chloro-2-thienyl)sulfonyl]piperidine
CID 2943089
1-Benzyl-4-[(2,5-dimethylthien-3-yl)sulfonyl]piperazine
CID 6603587
5-Methyl-2-{[4-benzylpiperazinyl]sulfonyl}thiophene
CID 2090982
1-Benzyl-4-[(5-chlorothien-2-yl)sulfonyl]piperazine
CID 2823175
4-[(5-Chlorothiophen-2-yl)sulfonyl]-2-methyl-1-(4-methylphenyl)piperazine
CID 3762016
1-(5-Chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 4850106
5-Chloro-2-{[4-(2-phenylethyl)piperazinyl]sulfonyl}thiophene
CID 6464314
1-[(5-Chloro-2-thienyl)sulfonyl]-4-(2-methylbenzyl)piperazine
CID 6469560
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
CID 16329435
1-((4-(Diphenylmethyl)piperazinyl)sulfonyl)-4-chlorobenzene
CID 1075123

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine?
The IUPAC name of 1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine (CID 2822245) is 1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine.
What is the SMILES notation for 1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine?
The canonical SMILES for 1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine is O=S(=O)(c1ccc(Cl)s1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine?
The InChIKey is AGQYMZWFJYCIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S2/c22-19-11-12-20(27-19)28(25,26)24-15-13-23(14-16-24)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,21H,13-16H2.
What are the key properties of 1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine?
1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine has a molecular weight of 433.00 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine is sourced from PubChem (CID 2822245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).