1-(4-bromophenyl)sulfonyl-4-pyridin-4-ylpiperazine

C15H16BrN3O2S — CID 6734934

IUPAC1-(4-bromophenyl)sulfonyl-4-pyridin-4-ylpiperazine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C15H16BrN3O2S/c16-13-1-3-15(4-2-13)22(20,21)19-11-9-18(10-12-19)14-5-7-17-8-6-14/h1-8H,9-12H2
InChIKeyLMFOKNIWQVPVHY-UHFFFAOYSA-N
MW382.28 g/mol
LogP2.36
Rot. Bonds3

About 1-(4-bromophenyl)sulfonyl-4-pyridin-4-ylpiperazine

1-(4-bromophenyl)sulfonyl-4-pyridin-4-ylpiperazine (PubChem CID 6734934) has the molecular formula C15H16BrN3O2S and a molecular weight of 382.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-pyridin-4-ylpiperazine
PubChem CID6734934
Molecular FormulaC15H16BrN3O2S
Molecular Weight382.28 g/mol
Exact Mass381.01
IUPAC Name1-(4-bromophenyl)sulfonyl-4-pyridin-4-ylpiperazine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C15H16BrN3O2S/c16-13-1-3-15(4-2-13)22(20,21)19-11-9-18(10-12-19)14-5-7-17-8-6-14/h1-8H,9-12H2
InChIKeyLMFOKNIWQVPVHY-UHFFFAOYSA-N
XLogP2.36
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 669138
CID 669138
CID 902073
CID 902073
CID 10743771
CID 10743771
CID 199072
CID 199072
CID 1256095
CID 1256095
CID 3233890
CID 3233890
CID 3234191
CID 3234191
CID 3244120
CID 3244120
CID 6877637
CID 6877637
CID 11618305
CID 11618305
CID 16806770
CID 16806770
CID 73346473
CID 73346473

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-pyridin-4-ylpiperazine (CID 6734934) is 1-(4-bromophenyl)sulfonyl-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-pyridin-4-ylpiperazine is O=S(=O)(c1ccc(Br)cc1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-pyridin-4-ylpiperazine?
The InChIKey is LMFOKNIWQVPVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2S/c16-13-1-3-15(4-2-13)22(20,21)19-11-9-18(10-12-19)14-5-7-17-8-6-14/h1-8H,9-12H2.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-pyridin-4-ylpiperazine?
1-(4-bromophenyl)sulfonyl-4-pyridin-4-ylpiperazine has a molecular weight of 382.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 6734934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).