5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione

C17H16N4O4S — CID 73056761

IUPAC5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2C1=O
InChIInChI=1S/C17H16N4O4S/c22-16-13-11-12(4-5-14(13)19-17(16)23)26(24,25)21-9-7-20(8-10-21)15-3-1-2-6-18-15/h1-6,11H,7-10H2,(H,19,22,23)
InChIKeyRQCUTXHKWJPTCR-UHFFFAOYSA-N
MW372.41 g/mol
LogP0.73
Rot. Bonds3

About 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione

5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione (PubChem CID 73056761) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione
PubChem CID73056761
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2C1=O
InChIInChI=1S/C17H16N4O4S/c22-16-13-11-12(4-5-14(13)19-17(16)23)26(24,25)21-9-7-20(8-10-21)15-3-1-2-6-18-15/h1-6,11H,7-10H2,(H,19,22,23)
InChIKeyRQCUTXHKWJPTCR-UHFFFAOYSA-N
XLogP0.73
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(5,11-Dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]-3-methylbenzenesulfonamide
CID 68034365
1-Methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione
CID 73057087
2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide
CID 990951
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
N-(3,4-difluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 3602790
hRSV-IN-1
CID 4272400
3-[4-(Azepan-1-ylsulfonyl)anilino]-2-(2-pyridyl)isoindolin-1-one
CID 9550095
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione?
The IUPAC name of 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione (CID 73056761) is 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione.
What is the SMILES notation for 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione?
The canonical SMILES for 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione is O=C1Nc2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2C1=O.
What is the InChIKey of 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione?
The InChIKey is RQCUTXHKWJPTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c22-16-13-11-12(4-5-14(13)19-17(16)23)26(24,25)21-9-7-20(8-10-21)15-3-1-2-6-18-15/h1-6,11H,7-10H2,(H,19,22,23).
What are the key properties of 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione?
5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione has a molecular weight of 372.41 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione is sourced from PubChem (CID 73056761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).