3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide

C17H29N3O6S2 — CID 56521180

IUPAC3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCCS(=O)(=O)N(C)C)CC2)cc1OC
InChIInChI=1S/C17H29N3O6S2/c1-18(2)27(21,22)13-5-8-19-9-11-20(12-10-19)28(23,24)15-6-7-16(25-3)17(14-15)26-4/h6-7,14H,5,8-13H2,1-4H3
InChIKeyJIGWHQNJJINECI-UHFFFAOYSA-N
MW435.57 g/mol
LogP0.29
Rot. Bonds9

About 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide

3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide (PubChem CID 56521180) has the molecular formula C17H29N3O6S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
PubChem CID56521180
Molecular FormulaC17H29N3O6S2
Molecular Weight435.57 g/mol
Exact Mass435.15
IUPAC Name3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCCS(=O)(=O)N(C)C)CC2)cc1OC
InChIInChI=1S/C17H29N3O6S2/c1-18(2)27(21,22)13-5-8-19-9-11-20(12-10-19)28(23,24)15-6-7-16(25-3)17(14-15)26-4/h6-7,14H,5,8-13H2,1-4H3
InChIKeyJIGWHQNJJINECI-UHFFFAOYSA-N
XLogP0.29
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine
CID 113073624
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 51260705
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine
CID 121187227
1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17338184
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561393
1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17468522
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine
CID 56549188
2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol
CID 16644901
1-(3,4-dimethoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 9300907
1-[(2-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 9435627
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoacetate
CID 2051856

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide (CID 56521180) is 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide is COc1ccc(S(=O)(=O)N2CCN(CCCS(=O)(=O)N(C)C)CC2)cc1OC.
What is the InChIKey of 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is JIGWHQNJJINECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O6S2/c1-18(2)27(21,22)13-5-8-19-9-11-20(12-10-19)28(23,24)15-6-7-16(25-3)17(14-15)26-4/h6-7,14H,5,8-13H2,1-4H3.
What are the key properties of 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 435.57 g/mol, XLogP of 0.29, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 56521180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).