1-(3,4-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine

C17H22N2O3S — CID 17376577

IUPAC1-(3,4-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)cc1C
InChIInChI=1S/C17H22N2O3S/c1-14-5-6-17(12-15(14)2)23(20,21)19-9-7-18(8-10-19)13-16-4-3-11-22-16/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyJOQGMNRZOBGFFY-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.40
Rot. Bonds4

About 1-(3,4-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine

1-(3,4-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine (PubChem CID 17376577) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
PubChem CID17376577
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)cc1C
InChIInChI=1S/C17H22N2O3S/c1-14-5-6-17(12-15(14)2)23(20,21)19-9-7-18(8-10-19)13-16-4-3-11-22-16/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyJOQGMNRZOBGFFY-UHFFFAOYSA-N
XLogP2.40
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine (CID 17376577) is 1-(3,4-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine is Cc1ccc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine?
The InChIKey is JOQGMNRZOBGFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-14-5-6-17(12-15(14)2)23(20,21)19-9-7-18(8-10-19)13-16-4-3-11-22-16/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine?
1-(3,4-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine has a molecular weight of 334.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine is sourced from PubChem (CID 17376577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).