1-(5-bromothiophen-2-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine

C21H19BrN2O2S2 — CID 6735081

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H19BrN2O2S2/c22-19-9-10-20(27-19)28(25,26)24-13-11-23(12-14-24)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-10,21H,11-14H2
InChIKeyCNNZLMKRDBFZGU-UHFFFAOYSA-N
MW475.43 g/mol
LogP4.59
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine

1-(5-bromothiophen-2-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine (PubChem CID 6735081) has the molecular formula C21H19BrN2O2S2 and a molecular weight of 475.43 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine
PubChem CID6735081
Molecular FormulaC21H19BrN2O2S2
Molecular Weight475.43 g/mol
Exact Mass474.01
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H19BrN2O2S2/c22-19-9-10-20(27-19)28(25,26)24-13-11-23(12-14-24)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-10,21H,11-14H2
InChIKeyCNNZLMKRDBFZGU-UHFFFAOYSA-N
XLogP4.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine
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4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
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1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde
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1-(5-bromothiophen-2-yl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
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N-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide
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CID 17264581
1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine
CID 115872296
[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 112766465

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine (CID 6735081) is 1-(5-bromothiophen-2-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine is O=S(=O)(c1ccc(Br)s1)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine?
The InChIKey is CNNZLMKRDBFZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O2S2/c22-19-9-10-20(27-19)28(25,26)24-13-11-23(12-14-24)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-10,21H,11-14H2.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine?
1-(5-bromothiophen-2-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine has a molecular weight of 475.43 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine is sourced from PubChem (CID 6735081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).