1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine

C15H17BrN2O3S — CID 6466955

IUPAC1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C15H17BrN2O3S/c16-13-3-5-15(6-4-13)22(19,20)18-9-7-17(8-10-18)12-14-2-1-11-21-14/h1-6,11H,7-10,12H2
InChIKeyPHWVFBMAYVHVPQ-UHFFFAOYSA-N
MW385.28 g/mol
LogP2.55
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine

1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine (PubChem CID 6466955) has the molecular formula C15H17BrN2O3S and a molecular weight of 385.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
PubChem CID6466955
Molecular FormulaC15H17BrN2O3S
Molecular Weight385.28 g/mol
Exact Mass384.01
IUPAC Name1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C15H17BrN2O3S/c16-13-3-5-15(6-4-13)22(19,20)18-9-7-17(8-10-18)12-14-2-1-11-21-14/h1-6,11H,7-10,12H2
InChIKeyPHWVFBMAYVHVPQ-UHFFFAOYSA-N
XLogP2.55
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 3743915
1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
CID 17374335
1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113073924
1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 19582895
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120847332
1-(4-bromophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 78787612
1-[4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 31380445
4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide
CID 24515155
1-(4-bromophenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine
CID 26542079
N-[4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1342008
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 47005306

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine (CID 6466955) is 1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine is O=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine?
The InChIKey is PHWVFBMAYVHVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3S/c16-13-3-5-15(6-4-13)22(19,20)18-9-7-17(8-10-18)12-14-2-1-11-21-14/h1-6,11H,7-10,12H2.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine?
1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine has a molecular weight of 385.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine is sourced from PubChem (CID 6466955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).