2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide

C21H21BrN4O3S — CID 43038830

IUPAC2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1cccc2ncccc12
InChIInChI=1S/C21H21BrN4O3S/c22-16-6-8-17(9-7-16)30(28,29)26-13-11-25(12-14-26)15-21(27)24-20-5-1-4-19-18(20)3-2-10-23-19/h1-10H,11-15H2,(H,24,27)
InChIKeyISJRQSPZQCHRIQ-UHFFFAOYSA-N
MW489.40 g/mol
LogP2.94
Rot. Bonds5

About 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide (PubChem CID 43038830) has the molecular formula C21H21BrN4O3S and a molecular weight of 489.40 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide
PubChem CID43038830
Molecular FormulaC21H21BrN4O3S
Molecular Weight489.40 g/mol
Exact Mass488.05
IUPAC Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1cccc2ncccc12
InChIInChI=1S/C21H21BrN4O3S/c22-16-6-8-17(9-7-16)30(28,29)26-13-11-25(12-14-26)15-21(27)24-20-5-1-4-19-18(20)3-2-10-23-19/h1-10H,11-15H2,(H,24,27)
InChIKeyISJRQSPZQCHRIQ-UHFFFAOYSA-N
XLogP2.94
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-quinolin-5-ylacetamide
CID 17428284
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 9104805
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 3241108
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 55354494
2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide
CID 30297224
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6884439
N-(4-bromophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655466
N-(2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 7026017
N-(4-bromo-2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27174526
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 4828514
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-quinolin-5-ylacetamide
CID 24682364
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-butan-2-ylacetamide
CID 46572120

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide?
The IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide (CID 43038830) is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1cccc2ncccc12.
What is the InChIKey of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide?
The InChIKey is ISJRQSPZQCHRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O3S/c22-16-6-8-17(9-7-16)30(28,29)26-13-11-25(12-14-26)15-21(27)24-20-5-1-4-19-18(20)3-2-10-23-19/h1-10H,11-15H2,(H,24,27).
What are the key properties of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide?
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide has a molecular weight of 489.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide is sourced from PubChem (CID 43038830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).