(1R)-7-[(5-cyano-3-pyridinyl)oxy]-1,2,2-trifluoro-3-oxo-1H-indene-4-sulfonamide

C15H8F3N3O4S — CID 122506338

IUPAC(1R)-7-[(5-cyano-3-pyridinyl)oxy]-1,2,2-trifluoro-3-oxo-1H-indene-4-sulfonamide
SMILESN#Cc1cncc(Oc2ccc(S(N)(=O)=O)c3c2[C@@H](F)C(F)(F)C3=O)c1
InChIInChI=1S/C15H8F3N3O4S/c16-13-11-9(25-8-3-7(4-19)5-21-6-8)1-2-10(26(20,23)24)12(11)14(22)15(13,17)18/h1-3,5-6,13H,(H2,20,23,24)/t13-/m1/s1
InChIKeyUBHGJNDYXSXDQF-CYBMUJFWSA-N
MW383.31 g/mol
LogP2.24
Rot. Bonds3

About (1R)-7-[(5-cyano-3-pyridinyl)oxy]-1,2,2-trifluoro-3-oxo-1H-indene-4-sulfonamide

(1R)-7-[(5-cyano-3-pyridinyl)oxy]-1,2,2-trifluoro-3-oxo-1H-indene-4-sulfonamide (PubChem CID 122506338) has the molecular formula C15H8F3N3O4S and a molecular weight of 383.31 g/mol. Its IUPAC name is (1R)-7-[(5-cyano-3-pyridinyl)oxy]-1,2,2-trifluoro-3-oxo-1H-indene-4-sulfonamide.

Molecular Properties

Compound Name(1R)-7-[(5-cyano-3-pyridinyl)oxy]-1,2,2-trifluoro-3-oxo-1H-indene-4-sulfonamide
PubChem CID122506338
Molecular FormulaC15H8F3N3O4S
Molecular Weight383.31 g/mol
Exact Mass383.02
IUPAC Name(1R)-7-[(5-cyano-3-pyridinyl)oxy]-1,2,2-trifluoro-3-oxo-1H-indene-4-sulfonamide
SMILESN#Cc1cncc(Oc2ccc(S(N)(=O)=O)c3c2[C@@H](F)C(F)(F)C3=O)c1
InChIInChI=1S/C15H8F3N3O4S/c16-13-11-9(25-8-3-7(4-19)5-21-6-8)1-2-10(26(20,23)24)12(11)14(22)15(13,17)18/h1-3,5-6,13H,(H2,20,23,24)/t13-/m1/s1
InChIKeyUBHGJNDYXSXDQF-CYBMUJFWSA-N
XLogP2.24
TPSA123.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-7-[(5-cyano-3-pyridinyl)oxy]-1,2,2-trifluoro-3-oxo-1H-indene-4-sulfonamide?
The IUPAC name of (1R)-7-[(5-cyano-3-pyridinyl)oxy]-1,2,2-trifluoro-3-oxo-1H-indene-4-sulfonamide (CID 122506338) is (1R)-7-[(5-cyano-3-pyridinyl)oxy]-1,2,2-trifluoro-3-oxo-1H-indene-4-sulfonamide.
What is the SMILES notation for (1R)-7-[(5-cyano-3-pyridinyl)oxy]-1,2,2-trifluoro-3-oxo-1H-indene-4-sulfonamide?
The canonical SMILES for (1R)-7-[(5-cyano-3-pyridinyl)oxy]-1,2,2-trifluoro-3-oxo-1H-indene-4-sulfonamide is N#Cc1cncc(Oc2ccc(S(N)(=O)=O)c3c2[C@@H](F)C(F)(F)C3=O)c1.
What is the InChIKey of (1R)-7-[(5-cyano-3-pyridinyl)oxy]-1,2,2-trifluoro-3-oxo-1H-indene-4-sulfonamide?
The InChIKey is UBHGJNDYXSXDQF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H8F3N3O4S/c16-13-11-9(25-8-3-7(4-19)5-21-6-8)1-2-10(26(20,23)24)12(11)14(22)15(13,17)18/h1-3,5-6,13H,(H2,20,23,24)/t13-/m1/s1.
What are the key properties of (1R)-7-[(5-cyano-3-pyridinyl)oxy]-1,2,2-trifluoro-3-oxo-1H-indene-4-sulfonamide?
(1R)-7-[(5-cyano-3-pyridinyl)oxy]-1,2,2-trifluoro-3-oxo-1H-indene-4-sulfonamide has a molecular weight of 383.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-[(5-cyano-3-pyridinyl)oxy]-1,2,2-trifluoro-3-oxo-1H-indene-4-sulfonamide is sourced from PubChem (CID 122506338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).