2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]pyrimidine

C14H15BrN4O2S — CID 4826066

IUPAC2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccccc1Br)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H15BrN4O2S/c15-12-4-1-2-5-13(12)22(20,21)19-10-8-18(9-11-19)14-16-6-3-7-17-14/h1-7H,8-11H2
InChIKeyNDWXADGIZXNLRR-UHFFFAOYSA-N
MW383.27 g/mol
LogP1.75
Rot. Bonds3

About 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]pyrimidine

2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 4826066) has the molecular formula C14H15BrN4O2S and a molecular weight of 383.27 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID4826066
Molecular FormulaC14H15BrN4O2S
Molecular Weight383.27 g/mol
Exact Mass382.01
IUPAC Name2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccccc1Br)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H15BrN4O2S/c15-12-4-1-2-5-13(12)22(20,21)19-10-8-18(9-11-19)14-16-6-3-7-17-14/h1-7H,8-11H2
InChIKeyNDWXADGIZXNLRR-UHFFFAOYSA-N
XLogP1.75
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]pyrimidine (CID 4826066) is 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]pyrimidine is O=S(=O)(c1ccccc1Br)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is NDWXADGIZXNLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2S/c15-12-4-1-2-5-13(12)22(20,21)19-10-8-18(9-11-19)14-16-6-3-7-17-14/h1-7H,8-11H2.
What are the key properties of 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]pyrimidine?
2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 383.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 4826066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).