4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide

C23H29N3O3S — CID 58393443

IUPAC4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC2c3ccccc3CC2N2CC[C@@H](N3CCCC3)C2)cc1
InChIInChI=1S/C23H29N3O3S/c24-30(27,28)20-9-7-19(8-10-20)29-23-21-6-2-1-5-17(21)15-22(23)26-14-11-18(16-26)25-12-3-4-13-25/h1-2,5-10,18,22-23H,3-4,11-16H2,(H2,24,27,28)/t18-,22?,23?/m1/s1
InChIKeyUNPDDXJANVHTQT-WDGBRCNXSA-N
MW427.57 g/mol
LogP2.55
Rot. Bonds5

About 4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide

4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide (PubChem CID 58393443) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide
PubChem CID58393443
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC2c3ccccc3CC2N2CC[C@@H](N3CCCC3)C2)cc1
InChIInChI=1S/C23H29N3O3S/c24-30(27,28)20-9-7-19(8-10-20)29-23-21-6-2-1-5-17(21)15-22(23)26-14-11-18(16-26)25-12-3-4-13-25/h1-2,5-10,18,22-23H,3-4,11-16H2,(H2,24,27,28)/t18-,22?,23?/m1/s1
InChIKeyUNPDDXJANVHTQT-WDGBRCNXSA-N
XLogP2.55
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide?
The IUPAC name of 4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide (CID 58393443) is 4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide.
What is the SMILES notation for 4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide?
The canonical SMILES for 4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OC2c3ccccc3CC2N2CC[C@@H](N3CCCC3)C2)cc1.
What is the InChIKey of 4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide?
The InChIKey is UNPDDXJANVHTQT-WDGBRCNXSA-N. The full InChI is InChI=1S/C23H29N3O3S/c24-30(27,28)20-9-7-19(8-10-20)29-23-21-6-2-1-5-17(21)15-22(23)26-14-11-18(16-26)25-12-3-4-13-25/h1-2,5-10,18,22-23H,3-4,11-16H2,(H2,24,27,28)/t18-,22?,23?/m1/s1.
What are the key properties of 4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide?
4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide has a molecular weight of 427.57 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide is sourced from PubChem (CID 58393443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).