1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine

C18H23N3O2S — CID 120764282

IUPAC1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C18H23N3O2S/c1-14(2)15-5-7-17(8-6-15)24(22,23)21-11-10-20-13-18(21)16-4-3-9-19-12-16/h3-9,12,14,18,20H,10-11,13H2,1-2H3
InChIKeyCYUWLLICDAWNFE-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.54
Rot. Bonds4

About 1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine

1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine (PubChem CID 120764282) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
PubChem CID120764282
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C18H23N3O2S/c1-14(2)15-5-7-17(8-6-15)24(22,23)21-11-10-20-13-18(21)16-4-3-9-19-12-16/h3-9,12,14,18,20H,10-11,13H2,1-2H3
InChIKeyCYUWLLICDAWNFE-UHFFFAOYSA-N
XLogP2.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
CID 120763835
1-[4-(methylsulfonylmethyl)phenyl]sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763550
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide
CID 120763731
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764094
1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole
CID 120763906
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole;hydrochloride
CID 120763905
1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120763882

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine (CID 120764282) is 1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine is CC(C)c1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The InChIKey is CYUWLLICDAWNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14(2)15-5-7-17(8-6-15)24(22,23)21-11-10-20-13-18(21)16-4-3-9-19-12-16/h3-9,12,14,18,20H,10-11,13H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine?
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine has a molecular weight of 345.47 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120764282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).