1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine

C16H19N3O2S — CID 120763950

IUPAC1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
SMILESCc1cccc(S(=O)(=O)N2CCNCC2c2cccnc2)c1
InChIInChI=1S/C16H19N3O2S/c1-13-4-2-6-15(10-13)22(20,21)19-9-8-18-12-16(19)14-5-3-7-17-11-14/h2-7,10-11,16,18H,8-9,12H2,1H3
InChIKeyWVAGFQKFTMLWJB-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.73
Rot. Bonds3

About 1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine

1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine (PubChem CID 120763950) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
PubChem CID120763950
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
SMILESCc1cccc(S(=O)(=O)N2CCNCC2c2cccnc2)c1
InChIInChI=1S/C16H19N3O2S/c1-13-4-2-6-15(10-13)22(20,21)19-9-8-18-12-16(19)14-5-3-7-17-11-14/h2-7,10-11,16,18H,8-9,12H2,1H3
InChIKeyWVAGFQKFTMLWJB-UHFFFAOYSA-N
XLogP1.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 120763620
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120763882
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride
CID 120763566
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
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
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764094
1-(2-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763694

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine (CID 120763950) is 1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine is Cc1cccc(S(=O)(=O)N2CCNCC2c2cccnc2)c1.
What is the InChIKey of 1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The InChIKey is WVAGFQKFTMLWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-13-4-2-6-15(10-13)22(20,21)19-9-8-18-12-16(19)14-5-3-7-17-11-14/h2-7,10-11,16,18H,8-9,12H2,1H3.
What are the key properties of 1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine?
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine has a molecular weight of 317.41 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120763950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).