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

C22H26FN5O5S2 — CID 91527836

IUPAC5-(1,1-dihydroxythiazinan-2-yl)-N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-1,6-naphthyridine-7-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1cc2ncccc2c(N2CCCCS2(O)O)n1
InChIInChI=1S/C22H26FN5O5S2/c1-27(2)35(32,33)20-12-16(23)8-7-15(20)14-25-22(29)19-13-18-17(6-5-9-24-18)21(26-19)28-10-3-4-11-34(28,30)31/h5-9,12-13,30-31H,3-4,10-11,14H2,1-2H3,(H,25,29)
InChIKeyFLGQEZMXKRVTQD-UHFFFAOYSA-N
MW523.61 g/mol
LogP3.21
Rot. Bonds6

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

5-(1,1-dihydroxythiazinan-2-yl)-N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-1,6-naphthyridine-7-carboxamide (PubChem CID 91527836) has the molecular formula C22H26FN5O5S2 and a molecular weight of 523.61 g/mol. Its IUPAC name is 5-(1,1-dihydroxythiazinan-2-yl)-N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-(1,1-dihydroxythiazinan-2-yl)-N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-1,6-naphthyridine-7-carboxamide
PubChem CID91527836
Molecular FormulaC22H26FN5O5S2
Molecular Weight523.61 g/mol
Exact Mass523.14
IUPAC Name5-(1,1-dihydroxythiazinan-2-yl)-N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-1,6-naphthyridine-7-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1cc2ncccc2c(N2CCCCS2(O)O)n1
InChIInChI=1S/C22H26FN5O5S2/c1-27(2)35(32,33)20-12-16(23)8-7-15(20)14-25-22(29)19-13-18-17(6-5-9-24-18)21(26-19)28-10-3-4-11-34(28,30)31/h5-9,12-13,30-31H,3-4,10-11,14H2,1-2H3,(H,25,29)
InChIKeyFLGQEZMXKRVTQD-UHFFFAOYSA-N
XLogP3.21
TPSA135.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.61
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dihydroxythiazinan-2-yl)-N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-(1,1-dihydroxythiazinan-2-yl)-N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-1,6-naphthyridine-7-carboxamide (CID 91527836) is 5-(1,1-dihydroxythiazinan-2-yl)-N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-(1,1-dihydroxythiazinan-2-yl)-N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-(1,1-dihydroxythiazinan-2-yl)-N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-1,6-naphthyridine-7-carboxamide is CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1cc2ncccc2c(N2CCCCS2(O)O)n1.
What is the InChIKey of 5-(1,1-dihydroxythiazinan-2-yl)-N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-1,6-naphthyridine-7-carboxamide?
The InChIKey is FLGQEZMXKRVTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O5S2/c1-27(2)35(32,33)20-12-16(23)8-7-15(20)14-25-22(29)19-13-18-17(6-5-9-24-18)21(26-19)28-10-3-4-11-34(28,30)31/h5-9,12-13,30-31H,3-4,10-11,14H2,1-2H3,(H,25,29).
What are the key properties of 5-(1,1-dihydroxythiazinan-2-yl)-N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-1,6-naphthyridine-7-carboxamide?
5-(1,1-dihydroxythiazinan-2-yl)-N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-1,6-naphthyridine-7-carboxamide has a molecular weight of 523.61 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dihydroxythiazinan-2-yl)-N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 91527836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).