1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine

C17H21N3O3S — CID 828758

IUPAC1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C17H21N3O3S/c1-23-16-4-6-17(7-5-16)24(21,22)20-11-9-19(10-12-20)14-15-3-2-8-18-13-15/h2-8,13H,9-12,14H2,1H3
InChIKeyGPSRTHRZQOONCJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.60
Rot. Bonds5

About 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine

1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 828758) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine
PubChem CID828758
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C17H21N3O3S/c1-23-16-4-6-17(7-5-16)24(21,22)20-11-9-19(10-12-20)14-15-3-2-8-18-13-15/h2-8,13H,9-12,14H2,1H3
InChIKeyGPSRTHRZQOONCJ-UHFFFAOYSA-N
XLogP1.60
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine (CID 828758) is 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine is COc1ccc(S(=O)(=O)N2CCN(Cc3cccnc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is GPSRTHRZQOONCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-23-16-4-6-17(7-5-16)24(21,22)20-11-9-19(10-12-20)14-15-3-2-8-18-13-15/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine?
1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 347.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 828758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).