N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide

C22H24FN5O6S2 — CID 16728075

IUPACN-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
InChIInChI=1S/C22H24FN5O6S2/c1-27(2)36(33,34)17-12-15(23)8-7-14(17)13-25-22(30)19-20(29)18-16(6-5-9-24-18)21(26-19)28-10-3-4-11-35(28,31)32/h5-9,12,29H,3-4,10-11,13H2,1-2H3,(H,25,30)
InChIKeyYWFVTSHPZBFEBT-UHFFFAOYSA-N
MW537.60 g/mol
LogP1.58
Rot. Bonds6

About N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide

N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide (PubChem CID 16728075) has the molecular formula C22H24FN5O6S2 and a molecular weight of 537.60 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
PubChem CID16728075
Molecular FormulaC22H24FN5O6S2
Molecular Weight537.60 g/mol
Exact Mass537.12
IUPAC NameN-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
InChIInChI=1S/C22H24FN5O6S2/c1-27(2)36(33,34)17-12-15(23)8-7-14(17)13-25-22(30)19-20(29)18-16(6-5-9-24-18)21(26-19)28-10-3-4-11-35(28,31)32/h5-9,12,29H,3-4,10-11,13H2,1-2H3,(H,25,30)
InChIKeyYWFVTSHPZBFEBT-UHFFFAOYSA-N
XLogP1.58
TPSA149.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.60
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide (CID 16728075) is N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide is CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The InChIKey is YWFVTSHPZBFEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O6S2/c1-27(2)36(33,34)17-12-15(23)8-7-14(17)13-25-22(30)19-20(29)18-16(6-5-9-24-18)21(26-19)28-10-3-4-11-35(28,31)32/h5-9,12,29H,3-4,10-11,13H2,1-2H3,(H,25,30).
What are the key properties of N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide?
N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide has a molecular weight of 537.60 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 16728075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).