5-[2-(anilinomethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione

C19H19N3O4S — CID 22456716

IUPAC5-[2-(anilinomethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCCC3CNc3ccccc3)cc2C1=O
InChIInChI=1S/C19H19N3O4S/c23-18-16-11-15(8-9-17(16)21-19(18)24)27(25,26)22-10-4-7-14(22)12-20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,20H,4,7,10,12H2,(H,21,23,24)
InChIKeyUMHSZDAKIVGDNR-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.09
Rot. Bonds5

About 5-[2-(anilinomethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione

5-[2-(anilinomethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione (PubChem CID 22456716) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-[2-(anilinomethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-[2-(anilinomethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
PubChem CID22456716
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name5-[2-(anilinomethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCCC3CNc3ccccc3)cc2C1=O
InChIInChI=1S/C19H19N3O4S/c23-18-16-11-15(8-9-17(16)21-19(18)24)27(25,26)22-10-4-7-14(22)12-20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,20H,4,7,10,12H2,(H,21,23,24)
InChIKeyUMHSZDAKIVGDNR-UHFFFAOYSA-N
XLogP2.09
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(anilinomethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione?
The IUPAC name of 5-[2-(anilinomethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione (CID 22456716) is 5-[2-(anilinomethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione.
What is the SMILES notation for 5-[2-(anilinomethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione?
The canonical SMILES for 5-[2-(anilinomethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione is O=C1Nc2ccc(S(=O)(=O)N3CCCC3CNc3ccccc3)cc2C1=O.
What is the InChIKey of 5-[2-(anilinomethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione?
The InChIKey is UMHSZDAKIVGDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c23-18-16-11-15(8-9-17(16)21-19(18)24)27(25,26)22-10-4-7-14(22)12-20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,20H,4,7,10,12H2,(H,21,23,24).
What are the key properties of 5-[2-(anilinomethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione?
5-[2-(anilinomethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione has a molecular weight of 385.45 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(anilinomethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione is sourced from PubChem (CID 22456716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).