1-naphthalen-1-ylsulfonyl-4-pyrrolidin-3-yloxyindole

C22H20N2O3S — CID 10111124

IUPAC1-naphthalen-1-ylsulfonyl-4-pyrrolidin-3-yloxyindole
SMILESO=S(=O)(c1cccc2ccccc12)n1ccc2c(OC3CCNC3)cccc21
InChIInChI=1S/C22H20N2O3S/c25-28(26,22-10-3-6-16-5-1-2-7-18(16)22)24-14-12-19-20(24)8-4-9-21(19)27-17-11-13-23-15-17/h1-10,12,14,17,23H,11,13,15H2
InChIKeyGYZWOJSXDVKVLU-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.77
Rot. Bonds4

About 1-naphthalen-1-ylsulfonyl-4-pyrrolidin-3-yloxyindole

1-naphthalen-1-ylsulfonyl-4-pyrrolidin-3-yloxyindole (PubChem CID 10111124) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-naphthalen-1-ylsulfonyl-4-pyrrolidin-3-yloxyindole.

Molecular Properties

Compound Name1-naphthalen-1-ylsulfonyl-4-pyrrolidin-3-yloxyindole
PubChem CID10111124
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name1-naphthalen-1-ylsulfonyl-4-pyrrolidin-3-yloxyindole
SMILESO=S(=O)(c1cccc2ccccc12)n1ccc2c(OC3CCNC3)cccc21
InChIInChI=1S/C22H20N2O3S/c25-28(26,22-10-3-6-16-5-1-2-7-18(16)22)24-14-12-19-20(24)8-4-9-21(19)27-17-11-13-23-15-17/h1-10,12,14,17,23H,11,13,15H2
InChIKeyGYZWOJSXDVKVLU-UHFFFAOYSA-N
XLogP3.77
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylsulfonyl-4-pyrrolidin-3-yloxyindole?
The IUPAC name of 1-naphthalen-1-ylsulfonyl-4-pyrrolidin-3-yloxyindole (CID 10111124) is 1-naphthalen-1-ylsulfonyl-4-pyrrolidin-3-yloxyindole.
What is the SMILES notation for 1-naphthalen-1-ylsulfonyl-4-pyrrolidin-3-yloxyindole?
The canonical SMILES for 1-naphthalen-1-ylsulfonyl-4-pyrrolidin-3-yloxyindole is O=S(=O)(c1cccc2ccccc12)n1ccc2c(OC3CCNC3)cccc21.
What is the InChIKey of 1-naphthalen-1-ylsulfonyl-4-pyrrolidin-3-yloxyindole?
The InChIKey is GYZWOJSXDVKVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c25-28(26,22-10-3-6-16-5-1-2-7-18(16)22)24-14-12-19-20(24)8-4-9-21(19)27-17-11-13-23-15-17/h1-10,12,14,17,23H,11,13,15H2.
What are the key properties of 1-naphthalen-1-ylsulfonyl-4-pyrrolidin-3-yloxyindole?
1-naphthalen-1-ylsulfonyl-4-pyrrolidin-3-yloxyindole has a molecular weight of 392.48 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylsulfonyl-4-pyrrolidin-3-yloxyindole is sourced from PubChem (CID 10111124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).