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

C16H13F2NO3S2 — CID 10714139

IUPACN-[6-(2,6-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Sc1c(F)cccc1F)C(=O)CC2
InChIInChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-7-9-5-6-14(20)10(9)8-15(13)23-16-11(17)3-2-4-12(16)18/h2-4,7-8,19H,5-6H2,1H3
InChIKeyYOULWLUHEYHUJF-UHFFFAOYSA-N
MW369.41 g/mol
LogP3.62
Rot. Bonds4

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

N-[6-(2,6-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (PubChem CID 10714139) has the molecular formula C16H13F2NO3S2 and a molecular weight of 369.41 g/mol. Its IUPAC name is N-[6-(2,6-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(2,6-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
PubChem CID10714139
Molecular FormulaC16H13F2NO3S2
Molecular Weight369.41 g/mol
Exact Mass369.03
IUPAC NameN-[6-(2,6-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Sc1c(F)cccc1F)C(=O)CC2
InChIInChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-7-9-5-6-14(20)10(9)8-15(13)23-16-11(17)3-2-4-12(16)18/h2-4,7-8,19H,5-6H2,1H3
InChIKeyYOULWLUHEYHUJF-UHFFFAOYSA-N
XLogP3.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The IUPAC name of N-[6-(2,6-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (CID 10714139) is N-[6-(2,6-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(2,6-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The canonical SMILES for N-[6-(2,6-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is CS(=O)(=O)Nc1cc2c(cc1Sc1c(F)cccc1F)C(=O)CC2.
What is the InChIKey of N-[6-(2,6-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The InChIKey is YOULWLUHEYHUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-7-9-5-6-14(20)10(9)8-15(13)23-16-11(17)3-2-4-12(16)18/h2-4,7-8,19H,5-6H2,1H3.
What are the key properties of N-[6-(2,6-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
N-[6-(2,6-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide has a molecular weight of 369.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is sourced from PubChem (CID 10714139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).