5-[2-[hydroxy(pyridin-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione

C18H17N3O5S — CID 68929789

IUPAC5-[2-[hydroxy(pyridin-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCCC3C(O)c3ccncc3)cc2C1=O
InChIInChI=1S/C18H17N3O5S/c22-16(11-5-7-19-8-6-11)15-2-1-9-21(15)27(25,26)12-3-4-14-13(10-12)17(23)18(24)20-14/h3-8,10,15-16,22H,1-2,9H2,(H,20,23,24)
InChIKeyQTBSMFPCISERQH-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.10
Rot. Bonds4

About 5-[2-[hydroxy(pyridin-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione

5-[2-[hydroxy(pyridin-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione (PubChem CID 68929789) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is 5-[2-[hydroxy(pyridin-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-[2-[hydroxy(pyridin-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
PubChem CID68929789
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name5-[2-[hydroxy(pyridin-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCCC3C(O)c3ccncc3)cc2C1=O
InChIInChI=1S/C18H17N3O5S/c22-16(11-5-7-19-8-6-11)15-2-1-9-21(15)27(25,26)12-3-4-14-13(10-12)17(23)18(24)20-14/h3-8,10,15-16,22H,1-2,9H2,(H,20,23,24)
InChIKeyQTBSMFPCISERQH-UHFFFAOYSA-N
XLogP1.10
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
CID 18672067
(R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol
CID 11659970
(S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol
CID 71665857
2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride
CID 87793086
molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione
CID 156842363
2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide
CID 59763032
5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione;2,2,2-trifluoroacetic acid
CID 175455244
5-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110871668
5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110871612
5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione
CID 100820359
(2S)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 45290992
7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 18422443

Frequently Asked Questions

What is the IUPAC name of 5-[2-[hydroxy(pyridin-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione?
The IUPAC name of 5-[2-[hydroxy(pyridin-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione (CID 68929789) is 5-[2-[hydroxy(pyridin-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione.
What is the SMILES notation for 5-[2-[hydroxy(pyridin-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione?
The canonical SMILES for 5-[2-[hydroxy(pyridin-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione is O=C1Nc2ccc(S(=O)(=O)N3CCCC3C(O)c3ccncc3)cc2C1=O.
What is the InChIKey of 5-[2-[hydroxy(pyridin-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione?
The InChIKey is QTBSMFPCISERQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c22-16(11-5-7-19-8-6-11)15-2-1-9-21(15)27(25,26)12-3-4-14-13(10-12)17(23)18(24)20-14/h3-8,10,15-16,22H,1-2,9H2,(H,20,23,24).
What are the key properties of 5-[2-[hydroxy(pyridin-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione?
5-[2-[hydroxy(pyridin-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione has a molecular weight of 387.42 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[hydroxy(pyridin-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione is sourced from PubChem (CID 68929789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).