[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone

C20H24N2O5S — CID 41499008

IUPAC[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C20H24N2O5S/c1-15-6-4-5-7-17(15)20(23)21-10-12-22(13-11-21)28(24,25)19-14-16(26-2)8-9-18(19)27-3/h4-9,14H,10-13H2,1-3H3
InChIKeyKGMLJNHKGTWUGO-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.16
Rot. Bonds5

About [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone

[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 41499008) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID41499008
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C20H24N2O5S/c1-15-6-4-5-7-17(15)20(23)21-10-12-22(13-11-21)28(24,25)19-14-16(26-2)8-9-18(19)27-3/h4-9,14H,10-13H2,1-3H3
InChIKeyKGMLJNHKGTWUGO-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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Related Compounds

[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 26419260
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 71797913
2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoate
CID 2051902
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328605
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 41498831
[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 8799910
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646198
2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 26419289
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 31734856
(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119692262
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 19684880
4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide
CID 2758390

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone (CID 41499008) is [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone is COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3C)CC2)c1.
What is the InChIKey of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is KGMLJNHKGTWUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-15-6-4-5-7-17(15)20(23)21-10-12-22(13-11-21)28(24,25)19-14-16(26-2)8-9-18(19)27-3/h4-9,14H,10-13H2,1-3H3.
What are the key properties of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone?
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)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 [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 41499008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).