1-(5-bromothiophen-2-yl)sulfonyl-4-phenylpiperazine

C14H15BrN2O2S2 — CID 662547

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-4-phenylpiperazine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H15BrN2O2S2/c15-13-6-7-14(20-13)21(18,19)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyLBBZMVQJOYHHJJ-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.02
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)sulfonyl-4-phenylpiperazine

1-(5-bromothiophen-2-yl)sulfonyl-4-phenylpiperazine (PubChem CID 662547) has the molecular formula C14H15BrN2O2S2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-4-phenylpiperazine
PubChem CID662547
Molecular FormulaC14H15BrN2O2S2
Molecular Weight387.32 g/mol
Exact Mass385.98
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-4-phenylpiperazine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H15BrN2O2S2/c15-13-6-7-14(20-13)21(18,19)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyLBBZMVQJOYHHJJ-UHFFFAOYSA-N
XLogP3.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-phenylpiperazine (CID 662547) is 1-(5-bromothiophen-2-yl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-4-phenylpiperazine is O=S(=O)(c1ccc(Br)s1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-4-phenylpiperazine?
The InChIKey is LBBZMVQJOYHHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S2/c15-13-6-7-14(20-13)21(18,19)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-7H,8-11H2.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-4-phenylpiperazine?
1-(5-bromothiophen-2-yl)sulfonyl-4-phenylpiperazine has a molecular weight of 387.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 662547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).