N-[2,6-bis(difluoromethoxy)-5-fluoro-3-pyridinyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-5-sulfonamide;molecular hydrogen

C17H16F5N3O5S — CID 170733287

IUPACN-[2,6-bis(difluoromethoxy)-5-fluoro-3-pyridinyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-5-sulfonamide;molecular hydrogen
SMILESCN1CCc2c(cccc2S(=O)(=O)Nc2cc(F)c(OC(F)F)nc2OC(F)F)C1=O.[H][H]
InChIInChI=1S/C17H14F5N3O5S.H2/c1-25-6-5-8-9(15(25)26)3-2-4-12(8)31(27,28)24-11-7-10(18)13(29-16(19)20)23-14(11)30-17(21)22;/h2-4,7,16-17,24H,5-6H2,1H3;1H
InChIKeyJKGAXHXJKTZIHV-UHFFFAOYSA-N
MW469.39 g/mol
LogP3.10
Rot. Bonds7

About N-[2,6-bis(difluoromethoxy)-5-fluoro-3-pyridinyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-5-sulfonamide;molecular hydrogen

N-[2,6-bis(difluoromethoxy)-5-fluoro-3-pyridinyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-5-sulfonamide;molecular hydrogen (PubChem CID 170733287) has the molecular formula C17H16F5N3O5S and a molecular weight of 469.39 g/mol. Its IUPAC name is N-[2,6-bis(difluoromethoxy)-5-fluoro-3-pyridinyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-5-sulfonamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2,6-bis(difluoromethoxy)-5-fluoro-3-pyridinyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-5-sulfonamide;molecular hydrogen
PubChem CID170733287
Molecular FormulaC17H16F5N3O5S
Molecular Weight469.39 g/mol
Exact Mass469.07
IUPAC NameN-[2,6-bis(difluoromethoxy)-5-fluoro-3-pyridinyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-5-sulfonamide;molecular hydrogen
SMILESCN1CCc2c(cccc2S(=O)(=O)Nc2cc(F)c(OC(F)F)nc2OC(F)F)C1=O.[H][H]
InChIInChI=1S/C17H14F5N3O5S.H2/c1-25-6-5-8-9(15(25)26)3-2-4-12(8)31(27,28)24-11-7-10(18)13(29-16(19)20)23-14(11)30-17(21)22;/h2-4,7,16-17,24H,5-6H2,1H3;1H
InChIKeyJKGAXHXJKTZIHV-UHFFFAOYSA-N
XLogP3.10
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-bis(difluoromethoxy)-5-fluoro-3-pyridinyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-5-sulfonamide;molecular hydrogen?
The IUPAC name of N-[2,6-bis(difluoromethoxy)-5-fluoro-3-pyridinyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-5-sulfonamide;molecular hydrogen (CID 170733287) is N-[2,6-bis(difluoromethoxy)-5-fluoro-3-pyridinyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-5-sulfonamide;molecular hydrogen.
What is the SMILES notation for N-[2,6-bis(difluoromethoxy)-5-fluoro-3-pyridinyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-5-sulfonamide;molecular hydrogen?
The canonical SMILES for N-[2,6-bis(difluoromethoxy)-5-fluoro-3-pyridinyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-5-sulfonamide;molecular hydrogen is CN1CCc2c(cccc2S(=O)(=O)Nc2cc(F)c(OC(F)F)nc2OC(F)F)C1=O.[H][H].
What is the InChIKey of N-[2,6-bis(difluoromethoxy)-5-fluoro-3-pyridinyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-5-sulfonamide;molecular hydrogen?
The InChIKey is JKGAXHXJKTZIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N3O5S.H2/c1-25-6-5-8-9(15(25)26)3-2-4-12(8)31(27,28)24-11-7-10(18)13(29-16(19)20)23-14(11)30-17(21)22;/h2-4,7,16-17,24H,5-6H2,1H3;1H.
What are the key properties of N-[2,6-bis(difluoromethoxy)-5-fluoro-3-pyridinyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-5-sulfonamide;molecular hydrogen?
N-[2,6-bis(difluoromethoxy)-5-fluoro-3-pyridinyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-5-sulfonamide;molecular hydrogen has a molecular weight of 469.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis(difluoromethoxy)-5-fluoro-3-pyridinyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-5-sulfonamide;molecular hydrogen is sourced from PubChem (CID 170733287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).