1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine

C22H21N3O3S — CID 68551823

IUPAC1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine
SMILESCc1cccnc1N1CCN(S(=O)(=O)c2ccc3c(c2)oc2ccccc23)CC1
InChIInChI=1S/C22H21N3O3S/c1-16-5-4-10-23-22(16)24-11-13-25(14-12-24)29(26,27)17-8-9-19-18-6-2-3-7-20(18)28-21(19)15-17/h2-10,15H,11-14H2,1H3
InChIKeyWLYXXNLADAIBIW-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.80
Rot. Bonds3

About 1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine

1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine (PubChem CID 68551823) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine
PubChem CID68551823
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine
SMILESCc1cccnc1N1CCN(S(=O)(=O)c2ccc3c(c2)oc2ccccc23)CC1
InChIInChI=1S/C22H21N3O3S/c1-16-5-4-10-23-22(16)24-11-13-25(14-12-24)29(26,27)17-8-9-19-18-6-2-3-7-20(18)28-21(19)15-17/h2-10,15H,11-14H2,1H3
InChIKeyWLYXXNLADAIBIW-UHFFFAOYSA-N
XLogP3.80
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine
CID 68555914
1-(3-methyl-2-pyridinyl)-4-methylsulfonyl-1,4-diazepane
CID 51346045
1-dibenzothiophen-3-ylsulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68553773
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylic acid
CID 45422859
2-[4-(4-chloro-3-methylphenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole
CID 167937061
(2S)-1,4-bis(dibenzofuran-2-ylsulfonyl)-2-methylpiperazine
CID 92853639
1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one
CID 23004574
ethane;4-(3-methyl-2-pyridinyl)morpholine
CID 143966357
6-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 108782939
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline
CID 108781202
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 55821933
6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
CID 55560079

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine?
The IUPAC name of 1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine (CID 68551823) is 1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine is Cc1cccnc1N1CCN(S(=O)(=O)c2ccc3c(c2)oc2ccccc23)CC1.
What is the InChIKey of 1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine?
The InChIKey is WLYXXNLADAIBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-16-5-4-10-23-22(16)24-11-13-25(14-12-24)29(26,27)17-8-9-19-18-6-2-3-7-20(18)28-21(19)15-17/h2-10,15H,11-14H2,1H3.
What are the key properties of 1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine?
1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine has a molecular weight of 407.50 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 68551823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).