4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole

C18H22N4O2S — CID 142592094

IUPAC4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole
SMILESCN1CCN(c2cccc3c2CN(S(=O)(=O)c2cccnc2)C3)CC1
InChIInChI=1S/C18H22N4O2S/c1-20-8-10-21(11-9-20)18-6-2-4-15-13-22(14-17(15)18)25(23,24)16-5-3-7-19-12-16/h2-7,12H,8-11,13-14H2,1H3
InChIKeyAIENJNZJTHJGJO-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.54
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole

4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole (PubChem CID 142592094) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole
PubChem CID142592094
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole
SMILESCN1CCN(c2cccc3c2CN(S(=O)(=O)c2cccnc2)C3)CC1
InChIInChI=1S/C18H22N4O2S/c1-20-8-10-21(11-9-20)18-6-2-4-15-13-22(14-17(15)18)25(23,24)16-5-3-7-19-12-16/h2-7,12H,8-11,13-14H2,1H3
InChIKeyAIENJNZJTHJGJO-UHFFFAOYSA-N
XLogP1.54
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114523706
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
4-[2-(3-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-yl]-1,4-oxazepane
CID 142592152
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
N,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine
CID 142592198
2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 121153642
N,N-dimethyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 121053040
3-(furan-2-yl)-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyridazine
CID 25283799
3-(4-methylpiperazin-1-yl)sulfonyl-5-pyridin-3-ylbenzoic acid
CID 56861496
1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
CID 39010181
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine
CID 63340805

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole (CID 142592094) is 4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole is CN1CCN(c2cccc3c2CN(S(=O)(=O)c2cccnc2)C3)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole?
The InChIKey is AIENJNZJTHJGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-20-8-10-21(11-9-20)18-6-2-4-15-13-22(14-17(15)18)25(23,24)16-5-3-7-19-12-16/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole?
4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole has a molecular weight of 358.47 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole is sourced from PubChem (CID 142592094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).