1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine

C13H15BrN4O2S — CID 71026744

IUPAC1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine
SMILESO=S(=O)(N1CCN(c2ccc(Br)cc2)CC1)n1ccnc1
InChIInChI=1S/C13H15BrN4O2S/c14-12-1-3-13(4-2-12)16-7-9-17(10-8-16)21(19,20)18-6-5-15-11-18/h1-6,11H,7-10H2
InChIKeyHSNMWCWDKHPBEX-UHFFFAOYSA-N
MW371.26 g/mol
LogP1.56
Rot. Bonds3

About 1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine

1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine (PubChem CID 71026744) has the molecular formula C13H15BrN4O2S and a molecular weight of 371.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine
PubChem CID71026744
Molecular FormulaC13H15BrN4O2S
Molecular Weight371.26 g/mol
Exact Mass370.01
IUPAC Name1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine
SMILESO=S(=O)(N1CCN(c2ccc(Br)cc2)CC1)n1ccnc1
InChIInChI=1S/C13H15BrN4O2S/c14-12-1-3-13(4-2-12)16-7-9-17(10-8-16)21(19,20)18-6-5-15-11-18/h1-6,11H,7-10H2
InChIKeyHSNMWCWDKHPBEX-UHFFFAOYSA-N
XLogP1.56
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine?
The IUPAC name of 1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine (CID 71026744) is 1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine?
The canonical SMILES for 1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine is O=S(=O)(N1CCN(c2ccc(Br)cc2)CC1)n1ccnc1.
What is the InChIKey of 1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine?
The InChIKey is HSNMWCWDKHPBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2S/c14-12-1-3-13(4-2-12)16-7-9-17(10-8-16)21(19,20)18-6-5-15-11-18/h1-6,11H,7-10H2.
What are the key properties of 1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine?
1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine has a molecular weight of 371.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine is sourced from PubChem (CID 71026744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).