2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine

C25H26N2O3S — CID 11729763

IUPAC2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C25H26N2O3S/c1-26(2)16-15-21-18-27(31(28,29)23-11-7-4-8-12-23)25-14-13-22(17-24(21)25)30-19-20-9-5-3-6-10-20/h3-14,17-18H,15-16,19H2,1-2H3
InChIKeyPLQFOHQKYPNKGC-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.56
Rot. Bonds8

About 2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine

2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine (PubChem CID 11729763) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine
PubChem CID11729763
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C25H26N2O3S/c1-26(2)16-15-21-18-27(31(28,29)23-11-7-4-8-12-23)25-14-13-22(17-24(21)25)30-19-20-9-5-3-6-10-20/h3-14,17-18H,15-16,19H2,1-2H3
InChIKeyPLQFOHQKYPNKGC-UHFFFAOYSA-N
XLogP4.56
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine (CID 11729763) is 2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine is CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine?
The InChIKey is PLQFOHQKYPNKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-26(2)16-15-21-18-27(31(28,29)23-11-7-4-8-12-23)25-14-13-22(17-24(21)25)30-19-20-9-5-3-6-10-20/h3-14,17-18H,15-16,19H2,1-2H3.
What are the key properties of 2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine?
2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine has a molecular weight of 434.56 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 11729763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).