1-(4-bromophenyl)sulfonyl-2-propylpiperazine

C13H19BrN2O2S — CID 164863546

IUPAC1-(4-bromophenyl)sulfonyl-2-propylpiperazine
SMILESCCCC1CNCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2S/c1-2-3-12-10-15-8-9-16(12)19(17,18)13-6-4-11(14)5-7-13/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyAATYCJQKFNAIQI-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.21
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-2-propylpiperazine

1-(4-bromophenyl)sulfonyl-2-propylpiperazine (PubChem CID 164863546) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-2-propylpiperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-2-propylpiperazine
PubChem CID164863546
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name1-(4-bromophenyl)sulfonyl-2-propylpiperazine
SMILESCCCC1CNCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2S/c1-2-3-12-10-15-8-9-16(12)19(17,18)13-6-4-11(14)5-7-13/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyAATYCJQKFNAIQI-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-2-propylpiperazine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-2-propylpiperazine (CID 164863546) is 1-(4-bromophenyl)sulfonyl-2-propylpiperazine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-2-propylpiperazine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-2-propylpiperazine is CCCC1CNCCN1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-2-propylpiperazine?
The InChIKey is AATYCJQKFNAIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-2-3-12-10-15-8-9-16(12)19(17,18)13-6-4-11(14)5-7-13/h4-7,12,15H,2-3,8-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-2-propylpiperazine?
1-(4-bromophenyl)sulfonyl-2-propylpiperazine has a molecular weight of 347.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-2-propylpiperazine is sourced from PubChem (CID 164863546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).