N-[2-fluoro-4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide

C18H12FN3O5S2 — CID 46853657

IUPACN-[2-fluoro-4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1F)c1ccccn1
InChIInChI=1S/C18H12FN3O5S2/c19-13-11-12(8-9-14(13)21-18(23)15-5-3-4-10-20-15)22-28(24,25)16-6-1-2-7-17(16)29(22,26)27/h1-11H,(H,21,23)
InChIKeyLIFOQDABDOAYFP-UHFFFAOYSA-N
MW433.44 g/mol
LogP2.37
Rot. Bonds3

About N-[2-fluoro-4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide

N-[2-fluoro-4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 46853657) has the molecular formula C18H12FN3O5S2 and a molecular weight of 433.44 g/mol. Its IUPAC name is N-[2-fluoro-4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID46853657
Molecular FormulaC18H12FN3O5S2
Molecular Weight433.44 g/mol
Exact Mass433.02
IUPAC NameN-[2-fluoro-4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1F)c1ccccn1
InChIInChI=1S/C18H12FN3O5S2/c19-13-11-12(8-9-14(13)21-18(23)15-5-3-4-10-20-15)22-28(24,25)16-6-1-2-7-17(16)29(22,26)27/h1-11H,(H,21,23)
InChIKeyLIFOQDABDOAYFP-UHFFFAOYSA-N
XLogP2.37
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
CID 3956211
N-[3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide
CID 650456
N-{4-[(methylamino)sulfonyl]phenyl}-2-pyridinecarboxamide
CID 701247
N-(4-(N-phenylsulfamoyl)phenyl)picolinamide
CID 45111049
N-(4-(N-(2-fluorophenyl)sulfamoyl)phenyl)picolinamide
CID 45111509
N-[4-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide
CID 46853681
N-[4-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)phenyl]pyrimidine-4-carboxamide
CID 46853682
N-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914100
N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914548
N-[4-(propylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 1630803
N-[4-(acetylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 2568741
N-{4-[4-({5,7-Dioxo-5H,6H,7H-pyrrolo[3,4-B]pyridin-6-YL}methyl)benzenesulfonamido]phenyl}acetamide
CID 24792078

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-fluoro-4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide (CID 46853657) is N-[2-fluoro-4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-fluoro-4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1F)c1ccccn1.
What is the InChIKey of N-[2-fluoro-4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is LIFOQDABDOAYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O5S2/c19-13-11-12(8-9-14(13)21-18(23)15-5-3-4-10-20-15)22-28(24,25)16-6-1-2-7-17(16)29(22,26)27/h1-11H,(H,21,23).
What are the key properties of N-[2-fluoro-4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide?
N-[2-fluoro-4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 46853657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).