1-(2,5-dimethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine

C17H21N3O4S — CID 1091562

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C17H21N3O4S/c1-23-14-6-7-15(24-2)16(13-14)25(21,22)20-11-9-19(10-12-20)17-5-3-4-8-18-17/h3-8,13H,9-12H2,1-2H3
InChIKeyXEHDUBMVXJTPNC-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.61
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine

1-(2,5-dimethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 1091562) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine
PubChem CID1091562
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C17H21N3O4S/c1-23-14-6-7-15(24-2)16(13-14)25(21,22)20-11-9-19(10-12-20)17-5-3-4-8-18-17/h3-8,13H,9-12H2,1-2H3
InChIKeyXEHDUBMVXJTPNC-UHFFFAOYSA-N
XLogP1.61
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484980
N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 4885397
2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 893397
N-(5-isopropylpyridin-2-yl)-N-(3-methylbutan-2-yl)-4-((tetrahydro-2H-pyran-4-yl)methoxy)benzenesulfonamide
CID 72194692
N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide
CID 118527019
2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 786080
4-Methoxy-N-pyridin-2-yl-benzenesulfonamide
CID 1087331
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 1091567
Ethyl 2-[[(4-methoxyphenyl)sulfonyl](2-pyridinyl)amino]acetate
CID 2765461
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine
CID 2999912
1-({1-[(2,5-Dimethoxyphenyl)sulfonyl]piperidin-2-yl}carbonyl)-4-pyridin-2-ylpiperazine
CID 3236863
4-methoxy-N-(6-morpholino-3-pyridinyl)benzenesulfonamide
CID 3608807

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine (CID 1091562) is 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine is COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is XEHDUBMVXJTPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-23-14-6-7-15(24-2)16(13-14)25(21,22)20-11-9-19(10-12-20)17-5-3-4-8-18-17/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
1-(2,5-dimethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 363.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 1091562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).