1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione

C18H18N4O4S — CID 73057087

IUPAC1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21
InChIInChI=1S/C18H18N4O4S/c1-20-15-6-5-13(12-14(15)17(23)18(20)24)27(25,26)22-10-8-21(9-11-22)16-4-2-3-7-19-16/h2-7,12H,8-11H2,1H3
InChIKeyAZHFNRPAPFEMMG-UHFFFAOYSA-N
MW386.43 g/mol
LogP0.75
Rot. Bonds3

About 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione

1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione (PubChem CID 73057087) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione.

Molecular Properties

Compound Name1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione
PubChem CID73057087
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21
InChIInChI=1S/C18H18N4O4S/c1-20-15-6-5-13(12-14(15)17(23)18(20)24)27(25,26)22-10-8-21(9-11-22)16-4-2-3-7-19-16/h2-7,12H,8-11H2,1H3
InChIKeyAZHFNRPAPFEMMG-UHFFFAOYSA-N
XLogP0.75
TPSA90.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione
CID 73056761
1-[5-[4-[4-(Trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 172123487
6-(morpholin-4-ylsulfonyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]quinolin-4(1H)-one
CID 3237301
1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 3244323
N~2~-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N~1~-(4-methylpyridin-2-yl)leucinamide
CID 3244707
[3-(2,3-Dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
CID 3522807
hRSV-IN-1
CID 4272400
[4-[5-(4-Methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]-phenylmethanone
CID 4839869
N,N-Diethyl-4-{[2-(5-methylpyridin-2-YL)-3-oxo-2,3-dihydro-1H-isoindol-1-YL]amino}benzene-1-sulfonamide
CID 9550097
N-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(4-methylpyridin-2-yl)phenylalaninamide
CID 9551144
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 9551298
N-[2-[[11-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-8-yl]sulfonylamino]ethyl]carbamic acid tert-butyl ester
CID 15050929

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione?
The IUPAC name of 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione (CID 73057087) is 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione.
What is the SMILES notation for 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione?
The canonical SMILES for 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione is CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21.
What is the InChIKey of 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione?
The InChIKey is AZHFNRPAPFEMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-20-15-6-5-13(12-14(15)17(23)18(20)24)27(25,26)22-10-8-21(9-11-22)16-4-2-3-7-19-16/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione?
1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione has a molecular weight of 386.43 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione is sourced from PubChem (CID 73057087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).