N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide

C16H10F5NO3S2 — CID 10693561

IUPACN-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide
SMILESO=C1CCc2cc(NS(=O)(=O)C(F)(F)F)c(Sc3ccc(F)cc3F)cc21
InChIInChI=1S/C16H10F5NO3S2/c17-9-2-4-14(11(18)6-9)26-15-7-10-8(1-3-13(10)23)5-12(15)22-27(24,25)16(19,20)21/h2,4-7,22H,1,3H2
InChIKeySBRPEJRFRRXYSL-UHFFFAOYSA-N
MW423.38 g/mol
LogP4.51
Rot. Bonds4

About N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide

N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 10693561) has the molecular formula C16H10F5NO3S2 and a molecular weight of 423.38 g/mol. Its IUPAC name is N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide
PubChem CID10693561
Molecular FormulaC16H10F5NO3S2
Molecular Weight423.38 g/mol
Exact Mass423.00
IUPAC NameN-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide
SMILESO=C1CCc2cc(NS(=O)(=O)C(F)(F)F)c(Sc3ccc(F)cc3F)cc21
InChIInChI=1S/C16H10F5NO3S2/c17-9-2-4-14(11(18)6-9)26-15-7-10-8(1-3-13(10)23)5-12(15)22-27(24,25)16(19,20)21/h2,4-7,22H,1,3H2
InChIKeySBRPEJRFRRXYSL-UHFFFAOYSA-N
XLogP4.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide (CID 10693561) is N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide is O=C1CCc2cc(NS(=O)(=O)C(F)(F)F)c(Sc3ccc(F)cc3F)cc21.
What is the InChIKey of N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is SBRPEJRFRRXYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5NO3S2/c17-9-2-4-14(11(18)6-9)26-15-7-10-8(1-3-13(10)23)5-12(15)22-27(24,25)16(19,20)21/h2,4-7,22H,1,3H2.
What are the key properties of N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide?
N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 423.38 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 10693561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).