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

C17H15F2NO3S — CID 10689263

IUPACN-[6-[(2,4-difluorophenyl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Cc1ccc(F)cc1F)C(=O)CC2
InChIInChI=1S/C17H15F2NO3S/c1-24(22,23)20-16-8-10-3-5-17(21)14(10)7-12(16)6-11-2-4-13(18)9-15(11)19/h2,4,7-9,20H,3,5-6H2,1H3
InChIKeyUBHILSKDYRUXLP-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.06
Rot. Bonds4

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

N-[6-[(2,4-difluorophenyl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (PubChem CID 10689263) has the molecular formula C17H15F2NO3S and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[6-[(2,4-difluorophenyl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[(2,4-difluorophenyl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
PubChem CID10689263
Molecular FormulaC17H15F2NO3S
Molecular Weight351.37 g/mol
Exact Mass351.07
IUPAC NameN-[6-[(2,4-difluorophenyl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Cc1ccc(F)cc1F)C(=O)CC2
InChIInChI=1S/C17H15F2NO3S/c1-24(22,23)20-16-8-10-3-5-17(21)14(10)7-12(16)6-11-2-4-13(18)9-15(11)19/h2,4,7-9,20H,3,5-6H2,1H3
InChIKeyUBHILSKDYRUXLP-UHFFFAOYSA-N
XLogP3.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,4-difluorophenyl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The IUPAC name of N-[6-[(2,4-difluorophenyl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (CID 10689263) is N-[6-[(2,4-difluorophenyl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.
What is the SMILES notation for N-[6-[(2,4-difluorophenyl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The canonical SMILES for N-[6-[(2,4-difluorophenyl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is CS(=O)(=O)Nc1cc2c(cc1Cc1ccc(F)cc1F)C(=O)CC2.
What is the InChIKey of N-[6-[(2,4-difluorophenyl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The InChIKey is UBHILSKDYRUXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO3S/c1-24(22,23)20-16-8-10-3-5-17(21)14(10)7-12(16)6-11-2-4-13(18)9-15(11)19/h2,4,7-9,20H,3,5-6H2,1H3.
What are the key properties of N-[6-[(2,4-difluorophenyl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
N-[6-[(2,4-difluorophenyl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide has a molecular weight of 351.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,4-difluorophenyl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is sourced from PubChem (CID 10689263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).