2-naphthalen-1-yl-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]ethanesulfonamide

C26H29N3O2S — CID 11282295

IUPAC2-naphthalen-1-yl-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]ethanesulfonamide
SMILESO=S(=O)(CCc1cccc2ccccc12)Nc1ccc2ccn(CCN3CCCC3)c2c1
InChIInChI=1S/C26H29N3O2S/c30-32(31,19-13-22-8-5-7-21-6-1-2-9-25(21)22)27-24-11-10-23-12-16-29(26(23)20-24)18-17-28-14-3-4-15-28/h1-2,5-12,16,20,27H,3-4,13-15,17-19H2
InChIKeyPUEFBMXPPPGAQL-UHFFFAOYSA-N
MW447.60 g/mol
LogP4.87
Rot. Bonds8

About 2-naphthalen-1-yl-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]ethanesulfonamide

2-naphthalen-1-yl-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]ethanesulfonamide (PubChem CID 11282295) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]ethanesulfonamide
PubChem CID11282295
Molecular FormulaC26H29N3O2S
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC Name2-naphthalen-1-yl-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]ethanesulfonamide
SMILESO=S(=O)(CCc1cccc2ccccc12)Nc1ccc2ccn(CCN3CCCC3)c2c1
InChIInChI=1S/C26H29N3O2S/c30-32(31,19-13-22-8-5-7-21-6-1-2-9-25(21)22)27-24-11-10-23-12-16-29(26(23)20-24)18-17-28-14-3-4-15-28/h1-2,5-12,16,20,27H,3-4,13-15,17-19H2
InChIKeyPUEFBMXPPPGAQL-UHFFFAOYSA-N
XLogP4.87
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]ethanesulfonamide?
The IUPAC name of 2-naphthalen-1-yl-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]ethanesulfonamide (CID 11282295) is 2-naphthalen-1-yl-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]ethanesulfonamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]ethanesulfonamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]ethanesulfonamide is O=S(=O)(CCc1cccc2ccccc12)Nc1ccc2ccn(CCN3CCCC3)c2c1.
What is the InChIKey of 2-naphthalen-1-yl-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]ethanesulfonamide?
The InChIKey is PUEFBMXPPPGAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S/c30-32(31,19-13-22-8-5-7-21-6-1-2-9-25(21)22)27-24-11-10-23-12-16-29(26(23)20-24)18-17-28-14-3-4-15-28/h1-2,5-12,16,20,27H,3-4,13-15,17-19H2.
What are the key properties of 2-naphthalen-1-yl-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]ethanesulfonamide?
2-naphthalen-1-yl-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]ethanesulfonamide has a molecular weight of 447.60 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]ethanesulfonamide is sourced from PubChem (CID 11282295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).