4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

C22H24BrN3O3S — CID 22584293

IUPAC4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccco1)N1CCN(c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C22H24BrN3O3S/c23-18-8-10-20(11-9-18)30(27,28)24-17-21(22-7-4-16-29-22)26-14-12-25(13-15-26)19-5-2-1-3-6-19/h1-11,16,21,24H,12-15,17H2
InChIKeyCAXQOLVADYXGQD-UHFFFAOYSA-N
MW490.42 g/mol
LogP3.88
Rot. Bonds7

About 4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 22584293) has the molecular formula C22H24BrN3O3S and a molecular weight of 490.42 g/mol. Its IUPAC name is 4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID22584293
Molecular FormulaC22H24BrN3O3S
Molecular Weight490.42 g/mol
Exact Mass489.07
IUPAC Name4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccco1)N1CCN(c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C22H24BrN3O3S/c23-18-8-10-20(11-9-18)30(27,28)24-17-21(22-7-4-16-29-22)26-14-12-25(13-15-26)19-5-2-1-3-6-19/h1-11,16,21,24H,12-15,17H2
InChIKeyCAXQOLVADYXGQD-UHFFFAOYSA-N
XLogP3.88
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 7163117
4-bromo-N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 27443408
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 40774908
2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 94783675
N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4-nitrobenzenesulfonamide
CID 43971497
4-chloro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 7243475
N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 40774952
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 7162721
2-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methylsulfonylbenzenesulfonamide
CID 47070129
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 40774940
N-ethyl-N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 7162711
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide
CID 7163127

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 22584293) is 4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NCC(c1ccco1)N1CCN(c2ccccc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is CAXQOLVADYXGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O3S/c23-18-8-10-20(11-9-18)30(27,28)24-17-21(22-7-4-16-29-22)26-14-12-25(13-15-26)19-5-2-1-3-6-19/h1-11,16,21,24H,12-15,17H2.
What are the key properties of 4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 490.42 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 22584293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).