1-benzyl-4-(5-bromothiophen-2-yl)sulfonylpiperazine

C15H17BrN2O2S2 — CID 1241319

IUPAC1-benzyl-4-(5-bromothiophen-2-yl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H17BrN2O2S2/c16-14-6-7-15(21-14)22(19,20)18-10-8-17(9-11-18)12-13-4-2-1-3-5-13/h1-7H,8-12H2
InChIKeyDSTLVZMSJNHSOR-UHFFFAOYSA-N
MW401.35 g/mol
LogP3.02
Rot. Bonds4

About 1-benzyl-4-(5-bromothiophen-2-yl)sulfonylpiperazine

1-benzyl-4-(5-bromothiophen-2-yl)sulfonylpiperazine (PubChem CID 1241319) has the molecular formula C15H17BrN2O2S2 and a molecular weight of 401.35 g/mol. Its IUPAC name is 1-benzyl-4-(5-bromothiophen-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-(5-bromothiophen-2-yl)sulfonylpiperazine
PubChem CID1241319
Molecular FormulaC15H17BrN2O2S2
Molecular Weight401.35 g/mol
Exact Mass399.99
IUPAC Name1-benzyl-4-(5-bromothiophen-2-yl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H17BrN2O2S2/c16-14-6-7-15(21-14)22(19,20)18-10-8-17(9-11-18)12-13-4-2-1-3-5-13/h1-7H,8-12H2
InChIKeyDSTLVZMSJNHSOR-UHFFFAOYSA-N
XLogP3.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
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-benzyl-4-(5-bromothiophen-2-yl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-(5-bromothiophen-2-yl)sulfonylpiperazine (CID 1241319) is 1-benzyl-4-(5-bromothiophen-2-yl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-(5-bromothiophen-2-yl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-(5-bromothiophen-2-yl)sulfonylpiperazine is O=S(=O)(c1ccc(Br)s1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(5-bromothiophen-2-yl)sulfonylpiperazine?
The InChIKey is DSTLVZMSJNHSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S2/c16-14-6-7-15(21-14)22(19,20)18-10-8-17(9-11-18)12-13-4-2-1-3-5-13/h1-7H,8-12H2.
What are the key properties of 1-benzyl-4-(5-bromothiophen-2-yl)sulfonylpiperazine?
1-benzyl-4-(5-bromothiophen-2-yl)sulfonylpiperazine has a molecular weight of 401.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(5-bromothiophen-2-yl)sulfonylpiperazine is sourced from PubChem (CID 1241319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).