N-(3,4-difluorophenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide

C26H18F2N2O4S2 — CID 44570036

IUPACN-(3,4-difluorophenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide
SMILESO=C(COc1cccc2[nH]cc(Sc3ccc4ccccc4c3)c12)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C26H18F2N2O4S2/c27-20-11-10-19(13-21(20)28)36(32,33)30-25(31)15-34-23-7-3-6-22-26(23)24(14-29-22)35-18-9-8-16-4-1-2-5-17(16)12-18/h1-14,29H,15H2,(H,30,31)
InChIKeyGONZRFSQWYMFFJ-UHFFFAOYSA-N
MW524.57 g/mol
LogP5.63
Rot. Bonds7

About N-(3,4-difluorophenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide

N-(3,4-difluorophenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide (PubChem CID 44570036) has the molecular formula C26H18F2N2O4S2 and a molecular weight of 524.57 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide
PubChem CID44570036
Molecular FormulaC26H18F2N2O4S2
Molecular Weight524.57 g/mol
Exact Mass524.07
IUPAC NameN-(3,4-difluorophenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide
SMILESO=C(COc1cccc2[nH]cc(Sc3ccc4ccccc4c3)c12)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C26H18F2N2O4S2/c27-20-11-10-19(13-21(20)28)36(32,33)30-25(31)15-34-23-7-3-6-22-26(23)24(14-29-22)35-18-9-8-16-4-1-2-5-17(16)12-18/h1-14,29H,15H2,(H,30,31)
InChIKeyGONZRFSQWYMFFJ-UHFFFAOYSA-N
XLogP5.63
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.57
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide (CID 44570036) is N-(3,4-difluorophenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide is O=C(COc1cccc2[nH]cc(Sc3ccc4ccccc4c3)c12)NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide?
The InChIKey is GONZRFSQWYMFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N2O4S2/c27-20-11-10-19(13-21(20)28)36(32,33)30-25(31)15-34-23-7-3-6-22-26(23)24(14-29-22)35-18-9-8-16-4-1-2-5-17(16)12-18/h1-14,29H,15H2,(H,30,31).
What are the key properties of N-(3,4-difluorophenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide?
N-(3,4-difluorophenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide has a molecular weight of 524.57 g/mol, XLogP of 5.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide is sourced from PubChem (CID 44570036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).