[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

C17H19BrN2O5S — CID 17426410

IUPAC[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H19BrN2O5S/c1-2-24-14-6-5-13(18)12-16(14)26(22,23)20-9-7-19(8-10-20)17(21)15-4-3-11-25-15/h3-6,11-12H,2,7-10H2,1H3
InChIKeyJFJRAROAOCUYBK-UHFFFAOYSA-N
MW443.32 g/mol
LogP2.59
Rot. Bonds5

About [4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 17426410) has the molecular formula C17H19BrN2O5S and a molecular weight of 443.32 g/mol. Its IUPAC name is [4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
PubChem CID17426410
Molecular FormulaC17H19BrN2O5S
Molecular Weight443.32 g/mol
Exact Mass442.02
IUPAC Name[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H19BrN2O5S/c1-2-24-14-6-5-13(18)12-16(14)26(22,23)20-9-7-19(8-10-20)17(21)15-4-3-11-25-15/h3-6,11-12H,2,7-10H2,1H3
InChIKeyJFJRAROAOCUYBK-UHFFFAOYSA-N
XLogP2.59
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2377022
1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2378712
1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-ethylpiperazin-4-ium
CID 4280017
1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184062
[2-[(3-bromophenyl)methoxy]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 38909487
3-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060936
2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24556041
3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one
CID 171977750
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938480
4-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 122343998
1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperazine
CID 65450331
5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 16822023

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (CID 17426410) is [4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is JFJRAROAOCUYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O5S/c1-2-24-14-6-5-13(18)12-16(14)26(22,23)20-9-7-19(8-10-20)17(21)15-4-3-11-25-15/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of [4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 443.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 17426410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).