9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide

C19H12N2O4S — CID 2331607

IUPAC9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
InChIInChI=1S/C19H12N2O4S/c22-18-13-5-1-2-6-15(13)26(24,25)16-11-12(8-9-14(16)18)19(23)21-17-7-3-4-10-20-17/h1-11H,(H,20,21,23)
InChIKeyIZSHJOFFJKJELW-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.71
Rot. Bonds2

About 9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide

9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide (PubChem CID 2331607) has the molecular formula C19H12N2O4S and a molecular weight of 364.38 g/mol. Its IUPAC name is 9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide.

Molecular Properties

Compound Name9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide
PubChem CID2331607
Molecular FormulaC19H12N2O4S
Molecular Weight364.38 g/mol
Exact Mass364.05
IUPAC Name9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
InChIInChI=1S/C19H12N2O4S/c22-18-13-5-1-2-6-15(13)26(24,25)16-11-12(8-9-14(16)18)19(23)21-17-7-3-4-10-20-17/h1-11H,(H,20,21,23)
InChIKeyIZSHJOFFJKJELW-UHFFFAOYSA-N
XLogP2.71
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-oxo-N-pyridin-2-ylfluorene-2-carboxamide
CID 16613081
9,10,10-trioxo-N-(1H-1,2,4-triazol-5-yl)thioxanthene-3-carboxamide
CID 2306951
N-(4-acetylphenyl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 7945387
N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 7962238
3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
CID 10829557
N-[2-(1,3-benzothiazol-2-yl)phenyl]-9,10,10-trioxothioxanthene-3-carboxamide
CID 26181584
N-(2-bromoprop-2-enyl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 51126376
9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide
CID 166227055
N-hexyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 8886288
N-[4-(4-chlorophenoxy)butyl]-9,10,10-trioxothioxanthene-3-carboxamide
CID 16571878
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]benzoate
CID 2308596
(2-methoxy-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate
CID 16568626

Frequently Asked Questions

What is the IUPAC name of 9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide?
The IUPAC name of 9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide (CID 2331607) is 9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide.
What is the SMILES notation for 9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide?
The canonical SMILES for 9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide is O=C(Nc1ccccn1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O.
What is the InChIKey of 9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide?
The InChIKey is IZSHJOFFJKJELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O4S/c22-18-13-5-1-2-6-15(13)26(24,25)16-11-12(8-9-14(16)18)19(23)21-17-7-3-4-10-20-17/h1-11H,(H,20,21,23).
What are the key properties of 9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide?
9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide is sourced from PubChem (CID 2331607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).