N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide

C22H15N3O3S2 — CID 154863535

IUPACN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)Nc3nc(-c4cccc5ccccc45)cs3)ccc2[nH]1
InChIInChI=1S/C22H15N3O3S2/c26-21-11-8-15-12-16(9-10-19(15)23-21)30(27,28)25-22-24-20(13-29-22)18-7-3-5-14-4-1-2-6-17(14)18/h1-13H,(H,23,26)(H,24,25)
InChIKeyJHZTWKPHQWVVJT-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.61
Rot. Bonds4

About N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide

N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 154863535) has the molecular formula C22H15N3O3S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID154863535
Molecular FormulaC22H15N3O3S2
Molecular Weight433.51 g/mol
Exact Mass433.06
IUPAC NameN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)Nc3nc(-c4cccc5ccccc45)cs3)ccc2[nH]1
InChIInChI=1S/C22H15N3O3S2/c26-21-11-8-15-12-16(9-10-19(15)23-21)30(27,28)25-22-24-20(13-29-22)18-7-3-5-14-4-1-2-6-17(14)18/h1-13H,(H,23,26)(H,24,25)
InChIKeyJHZTWKPHQWVVJT-UHFFFAOYSA-N
XLogP4.61
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide (CID 154863535) is N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide is O=c1ccc2cc(S(=O)(=O)Nc3nc(-c4cccc5ccccc45)cs3)ccc2[nH]1.
What is the InChIKey of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is JHZTWKPHQWVVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3S2/c26-21-11-8-15-12-16(9-10-19(15)23-21)30(27,28)25-22-24-20(13-29-22)18-7-3-5-14-4-1-2-6-17(14)18/h1-13H,(H,23,26)(H,24,25).
What are the key properties of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide?
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 433.51 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 154863535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).