3-methoxy-N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,2-thiazole-4-sulfonamide

C13H13N3O4S2 — CID 167807803

IUPAC3-methoxy-N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,2-thiazole-4-sulfonamide
SMILESCOc1nscc1S(=O)(=O)Nc1ccc2c(n1)CCCC2=O
InChIInChI=1S/C13H13N3O4S2/c1-20-13-11(7-21-15-13)22(18,19)16-12-6-5-8-9(14-12)3-2-4-10(8)17/h5-7H,2-4H2,1H3,(H,14,16)
InChIKeyRZOLKKRQBZWRCZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.87
Rot. Bonds4

About 3-methoxy-N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,2-thiazole-4-sulfonamide

3-methoxy-N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,2-thiazole-4-sulfonamide (PubChem CID 167807803) has the molecular formula C13H13N3O4S2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-methoxy-N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,2-thiazole-4-sulfonamide
PubChem CID167807803
Molecular FormulaC13H13N3O4S2
Molecular Weight339.40 g/mol
Exact Mass339.03
IUPAC Name3-methoxy-N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,2-thiazole-4-sulfonamide
SMILESCOc1nscc1S(=O)(=O)Nc1ccc2c(n1)CCCC2=O
InChIInChI=1S/C13H13N3O4S2/c1-20-13-11(7-21-15-13)22(18,19)16-12-6-5-8-9(14-12)3-2-4-10(8)17/h5-7H,2-4H2,1H3,(H,14,16)
InChIKeyRZOLKKRQBZWRCZ-UHFFFAOYSA-N
XLogP1.87
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-methoxy-N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,2-thiazole-4-sulfonamide (CID 167807803) is 3-methoxy-N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-methoxy-N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-methoxy-N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,2-thiazole-4-sulfonamide is COc1nscc1S(=O)(=O)Nc1ccc2c(n1)CCCC2=O.
What is the InChIKey of 3-methoxy-N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,2-thiazole-4-sulfonamide?
The InChIKey is RZOLKKRQBZWRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S2/c1-20-13-11(7-21-15-13)22(18,19)16-12-6-5-8-9(14-12)3-2-4-10(8)17/h5-7H,2-4H2,1H3,(H,14,16).
What are the key properties of 3-methoxy-N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,2-thiazole-4-sulfonamide?
3-methoxy-N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,2-thiazole-4-sulfonamide has a molecular weight of 339.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 167807803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).