(5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone

C19H23BrN2O4S — CID 26750377

IUPAC(5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)cc1
InChIInChI=1S/C19H23BrN2O4S/c1-19(2,3)14-4-6-15(7-5-14)27(24,25)22-12-10-21(11-13-22)18(23)16-8-9-17(20)26-16/h4-9H,10-13H2,1-3H3
InChIKeyJLVGFLXUKMARNW-UHFFFAOYSA-N
MW455.37 g/mol
LogP3.49
Rot. Bonds3

About (5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone

(5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 26750377) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID26750377
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC Name(5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)cc1
InChIInChI=1S/C19H23BrN2O4S/c1-19(2,3)14-4-6-15(7-5-14)27(24,25)22-12-10-21(11-13-22)18(23)16-8-9-17(20)26-16/h4-9H,10-13H2,1-3H3
InChIKeyJLVGFLXUKMARNW-UHFFFAOYSA-N
XLogP3.49
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone
CID 108545866
(5-bromofuran-2-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26293314
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
[4-(benzenesulfonyl)piperazin-1-yl]-[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]methanone
CID 19585294
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2,2,2-trifluoroethanone
CID 108567599
4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide
CID 110812215
(2R)-6-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]sulfonyl-2-ethyl-4H-1,4-benzoxazin-3-one
CID 95067560
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 24765755
(5-methylfuran-2-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9344084
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
(E)-4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid
CID 17377417
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone (CID 26750377) is (5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone is CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)cc1.
What is the InChIKey of (5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is JLVGFLXUKMARNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-19(2,3)14-4-6-15(7-5-14)27(24,25)22-12-10-21(11-13-22)18(23)16-8-9-17(20)26-16/h4-9H,10-13H2,1-3H3.
What are the key properties of (5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone?
(5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 455.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 26750377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).