1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride

C15H17BrClN3O2S — CID 120764391

IUPAC1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(Br)cc1)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H16BrN3O2S.ClH/c16-13-3-5-14(6-4-13)22(20,21)19-9-8-18-11-15(19)12-2-1-7-17-10-12;/h1-7,10,15,18H,8-9,11H2;1H
InChIKeySFQPZKRXKADILL-UHFFFAOYSA-N
MW418.74 g/mol
LogP2.60
Rot. Bonds3

About 1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride

1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride (PubChem CID 120764391) has the molecular formula C15H17BrClN3O2S and a molecular weight of 418.74 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
PubChem CID120764391
Molecular FormulaC15H17BrClN3O2S
Molecular Weight418.74 g/mol
Exact Mass416.99
IUPAC Name1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(Br)cc1)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H16BrN3O2S.ClH/c16-13-3-5-14(6-4-13)22(20,21)19-9-8-18-11-15(19)12-2-1-7-17-10-12;/h1-7,10,15,18H,8-9,11H2;1H
InChIKeySFQPZKRXKADILL-UHFFFAOYSA-N
XLogP2.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.74
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120763882
1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
CID 120763835
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
1-[4-(methylsulfonylmethyl)phenyl]sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763550
1-[(4-bromophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763556
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(5-bromo-2-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763612
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
CID 120763604
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764101
N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide
CID 120763731
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride (CID 120764391) is 1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride is Cl.O=S(=O)(c1ccc(Br)cc1)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride?
The InChIKey is SFQPZKRXKADILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2S.ClH/c16-13-3-5-14(6-4-13)22(20,21)19-9-8-18-11-15(19)12-2-1-7-17-10-12;/h1-7,10,15,18H,8-9,11H2;1H.
What are the key properties of 1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride?
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride has a molecular weight of 418.74 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride is sourced from PubChem (CID 120764391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).