N-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide

C17H16F2N2O5S2 — CID 10598721

IUPACN-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(c1cc2c(cc1Nc1ccc(F)cc1F)C(=O)CC2)S(C)(=O)=O
InChIInChI=1S/C17H16F2N2O5S2/c1-27(23,24)21(28(2,25)26)16-7-10-3-6-17(22)12(10)9-15(16)20-14-5-4-11(18)8-13(14)19/h4-5,7-9,20H,3,6H2,1-2H3
InChIKeyLJZZHEJWMDEEFW-UHFFFAOYSA-N
MW430.45 g/mol
LogP2.56
Rot. Bonds5

About N-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide

N-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide (PubChem CID 10598721) has the molecular formula C17H16F2N2O5S2 and a molecular weight of 430.45 g/mol. Its IUPAC name is N-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide
PubChem CID10598721
Molecular FormulaC17H16F2N2O5S2
Molecular Weight430.45 g/mol
Exact Mass430.05
IUPAC NameN-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(c1cc2c(cc1Nc1ccc(F)cc1F)C(=O)CC2)S(C)(=O)=O
InChIInChI=1S/C17H16F2N2O5S2/c1-27(23,24)21(28(2,25)26)16-7-10-3-6-17(22)12(10)9-15(16)20-14-5-4-11(18)8-13(14)19/h4-5,7-9,20H,3,6H2,1-2H3
InChIKeyLJZZHEJWMDEEFW-UHFFFAOYSA-N
XLogP2.56
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-bromophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide
CID 10743661
1-(2,4-difluoroanilino)-2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-4-fluorobenzene
CID 167882327
N-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
CID 10221717
6-(2,4-difluorophenoxy)-5-(methylsulfanylamino)-2,3-dihydroinden-1-one
CID 142003228
6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one
CID 20664043
N-(2,4-difluorophenyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508328
5-(2,4-difluoroanilino)-2,2-dimethyl-3H-inden-1-one
CID 69389138
N-(2,4-difluorophenyl)pyrrolidine-3-sulfonamide
CID 65420908
3-amino-4-(2,4-difluoroanilino)-N-methylbenzenesulfonamide
CID 43449192
N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 53285822
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide (CID 10598721) is N-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide is CS(=O)(=O)N(c1cc2c(cc1Nc1ccc(F)cc1F)C(=O)CC2)S(C)(=O)=O.
What is the InChIKey of N-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide?
The InChIKey is LJZZHEJWMDEEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O5S2/c1-27(23,24)21(28(2,25)26)16-7-10-3-6-17(22)12(10)9-15(16)20-14-5-4-11(18)8-13(14)19/h4-5,7-9,20H,3,6H2,1-2H3.
What are the key properties of N-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide?
N-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide has a molecular weight of 430.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 10598721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).