(2,6-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

C20H24N2O5S — CID 660716

IUPAC(2,6-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H24N2O5S/c1-15-7-9-16(10-8-15)28(24,25)22-13-11-21(12-14-22)20(23)19-17(26-2)5-4-6-18(19)27-3/h4-10H,11-14H2,1-3H3
InChIKeyZGSSKVVUBANWAG-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.16
Rot. Bonds5

About (2,6-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

(2,6-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 660716) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID660716
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name(2,6-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H24N2O5S/c1-15-7-9-16(10-8-15)28(24,25)22-13-11-21(12-14-22)20(23)19-17(26-2)5-4-6-18(19)27-3/h4-10H,11-14H2,1-3H3
InChIKeyZGSSKVVUBANWAG-UHFFFAOYSA-N
XLogP2.16
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (CID 660716) is (2,6-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is COc1cccc(OC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is ZGSSKVVUBANWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-15-7-9-16(10-8-15)28(24,25)22-13-11-21(12-14-22)20(23)19-17(26-2)5-4-6-18(19)27-3/h4-10H,11-14H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 404.49 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 660716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).