N-(2-oxo-1H-quinolin-5-yl)-1,3-benzothiazole-5-sulfonamide

C16H11N3O3S2 — CID 167979237

IUPACN-(2-oxo-1H-quinolin-5-yl)-1,3-benzothiazole-5-sulfonamide
SMILESO=c1ccc2c(NS(=O)(=O)c3ccc4scnc4c3)cccc2[nH]1
InChIInChI=1S/C16H11N3O3S2/c20-16-7-5-11-12(18-16)2-1-3-13(11)19-24(21,22)10-4-6-15-14(8-10)17-9-23-15/h1-9,19H,(H,18,20)
InChIKeyPLJBONAKNAZXNA-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.94
Rot. Bonds3

About N-(2-oxo-1H-quinolin-5-yl)-1,3-benzothiazole-5-sulfonamide

N-(2-oxo-1H-quinolin-5-yl)-1,3-benzothiazole-5-sulfonamide (PubChem CID 167979237) has the molecular formula C16H11N3O3S2 and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(2-oxo-1H-quinolin-5-yl)-1,3-benzothiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-oxo-1H-quinolin-5-yl)-1,3-benzothiazole-5-sulfonamide
PubChem CID167979237
Molecular FormulaC16H11N3O3S2
Molecular Weight357.42 g/mol
Exact Mass357.02
IUPAC NameN-(2-oxo-1H-quinolin-5-yl)-1,3-benzothiazole-5-sulfonamide
SMILESO=c1ccc2c(NS(=O)(=O)c3ccc4scnc4c3)cccc2[nH]1
InChIInChI=1S/C16H11N3O3S2/c20-16-7-5-11-12(18-16)2-1-3-13(11)19-24(21,22)10-4-6-15-14(8-10)17-9-23-15/h1-9,19H,(H,18,20)
InChIKeyPLJBONAKNAZXNA-UHFFFAOYSA-N
XLogP2.94
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide
CID 47093112
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide
CID 154863535
methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate
CID 126458941
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909788
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
N-[2-(3,3-dimethylbutoxy)phenyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 161158270
4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide
CID 118337075
4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide
CID 169372936
N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide
CID 53356006
4-methyl-2-oxo-N-phenyl-1H-quinoline-6-sulfonamide
CID 16804856
N-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide
CID 146150664
N-[2-(3,3-dimethylpentoxy)phenyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 166688873

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-quinolin-5-yl)-1,3-benzothiazole-5-sulfonamide?
The IUPAC name of N-(2-oxo-1H-quinolin-5-yl)-1,3-benzothiazole-5-sulfonamide (CID 167979237) is N-(2-oxo-1H-quinolin-5-yl)-1,3-benzothiazole-5-sulfonamide.
What is the SMILES notation for N-(2-oxo-1H-quinolin-5-yl)-1,3-benzothiazole-5-sulfonamide?
The canonical SMILES for N-(2-oxo-1H-quinolin-5-yl)-1,3-benzothiazole-5-sulfonamide is O=c1ccc2c(NS(=O)(=O)c3ccc4scnc4c3)cccc2[nH]1.
What is the InChIKey of N-(2-oxo-1H-quinolin-5-yl)-1,3-benzothiazole-5-sulfonamide?
The InChIKey is PLJBONAKNAZXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S2/c20-16-7-5-11-12(18-16)2-1-3-13(11)19-24(21,22)10-4-6-15-14(8-10)17-9-23-15/h1-9,19H,(H,18,20).
What are the key properties of N-(2-oxo-1H-quinolin-5-yl)-1,3-benzothiazole-5-sulfonamide?
N-(2-oxo-1H-quinolin-5-yl)-1,3-benzothiazole-5-sulfonamide has a molecular weight of 357.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1H-quinolin-5-yl)-1,3-benzothiazole-5-sulfonamide is sourced from PubChem (CID 167979237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).