4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide

C22H19N3O3S — CID 169371950

IUPAC4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)cc1
InChIInChI=1S/C22H19N3O3S/c1-14-4-8-18(9-5-14)29(27,28)25-17-7-6-15-12-22(13-16(15)11-17)19-3-2-10-23-20(19)24-21(22)26/h2-11,25H,12-13H2,1H3,(H,23,24,26)
InChIKeyWBHIEBRMHVGYHX-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.18
Rot. Bonds3

About 4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide

4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide (PubChem CID 169371950) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide
PubChem CID169371950
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)cc1
InChIInChI=1S/C22H19N3O3S/c1-14-4-8-18(9-5-14)29(27,28)25-17-7-6-15-12-22(13-16(15)11-17)19-3-2-10-23-20(19)24-21(22)26/h2-11,25H,12-13H2,1H3,(H,23,24,26)
InChIKeyWBHIEBRMHVGYHX-UHFFFAOYSA-N
XLogP3.18
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide (CID 169371950) is 4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)cc1.
What is the InChIKey of 4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide?
The InChIKey is WBHIEBRMHVGYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-14-4-8-18(9-5-14)29(27,28)25-17-7-6-15-12-22(13-16(15)11-17)19-3-2-10-23-20(19)24-21(22)26/h2-11,25H,12-13H2,1H3,(H,23,24,26).
What are the key properties of 4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide?
4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide is sourced from PubChem (CID 169371950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).